What to cite
If you use the JuKKR code, please cite:
P. Rüßmann, D. Antognini Silva, D. S. G. Bauer, P. Baumeister, P. F. Bornemann, J. Bouaziz, S. Brinker, J. Chico, P. H. Dederichs, B. H. Drittler, F. Dos Santos, M. dos Santos Dias, N. Essing, G. Géranton, I. Klepetsanis, A. Kosma, N. H. Long, S. Lounis, P. Mavropoulos, E. Mendive Tapia, C. Oran, N. Papanikolaou, E. Rabel, B. Schweflinghaus, N. Stefanou, A. R. Thiess, R. Zeller, B. Zimmermann, and S. Blügel, JuDFTteam/JuKKR: v3.6, Zenodo (2022). doi: 10.5281/zenodo.7284738.
Papers where JuKKR codes are used
| Authors | Title | Journal reference | doi |
| T. Gao*, P. Rüßmann*, Q. Wang*, R. Fukunaga, H. Hayashi, D. Go, T. Harumoto, R. Tu, S. Zhang, L. Zhang, Y. Mokrousov, J. Shi, and K. Ando [*shared co-first authorship] | Control of dynamic orbital response in ferromagnets via crystal symmetry | Nature Physics (2024) | https://doi.org/10.1038/s41567-024-02648-0 |
| R. Mozumder, J. Wasmer, D. Antognini Silva, S. Blügel, and P. Rüßmann | High-throughput magnetic co-doping and design of exchange interactions in topological insulators | Phys. Rev. Materials (2024) | accepted for publication |
| M. Bahari, S.-B. Zhang, C.-A. Li, S.-J. Choi, P. Rüßmann, C. Timm, B. Trauzettel | Helical Topological Superconducting Pairing at Finite Excitation Energies | Phys. Rev. Lett. 132, 266201(2024) | https://doi.org/10.1103/PhysRevLett.132.266201 |
| E. Zsurka, C. Wang, J. Legendre, D. Di Miceli, L. Serra, D. Grützmacher, T. L. Schmidt, P. Rüßmann, K. Moors | Low-energy modeling of three-dimensional topological insulator nanostructures | Phys. Rev. Materials 8, 084204 (2024) | https://doi.org/10.1103/PhysRevMaterials.8.084204 |
| K. Janßen, P. Rüßmann, S. Liberda, M. Schleenvoigt, X. Hou, A. R. Jalil, F. Lentz, S. Trellenkamp, B. Bennemann, E. Zimmermann, G. Mussler, P. Schüffelgen, C.-M. Schneider, S. Blügel, D. Grützmacher, L. Plucinski, T. Schäpers | Characterization of single in situ prepared interfaces composed of niobium and a selectively grown (Bi1−xSbx)2Te3 topological insulator nanoribbon | Phys. Rev. Materials 8, 034205 (2024) | https://doi.org/10.1103/PhysRevMaterials.8.034205 |
| X.-K. Wei, A. R. Jalil, P. Rüßmann, Y. Ando, D. Grützmacher, S. Blügel, J. Mayer | Atomic Diffusion-Induced Polarization and Superconductivity in Topological Insulator-Based Heterostructures | ACS Nano 18 (1), 571–580 (2024) | https://doi.org/10.1021/acsnano.3c08601 |
| P. Rüßmann, D. Antognini Silva, M. Hemmati, I. Klepetsanis, B. Trauzettel, P. Mavropoulos, S. Blügel | Density-functional description of materials for topological qubits and superconducting spintronics | Proc. SPIE 12656, Spintronics XVI, 126560S (2023) | https://doi.org/10.1117/12.2678145 |
| P. Rüßmann, M. Bahari, S. Blügel, B. Trauzettel | Inter-orbital Cooper pairing at finite energies in Rashba surface states | Phys. Rev. Research 5, 043181 (2023) | https://doi.org/10.1103/PhysRevResearch.5.043181 |
| S. Ghosh, P. Rüßmann, Y. Mokrousov, F. Freimuth, A. Kosma | Perspective on spin–orbit torque, topology, and reciprocal and real-space spin textures in magnetic materials and heterostructures | Journal of Applied Physics 133, 230901 (2023) | |
| M. Schmitt, T. Denneulin, A. Kovács, T. G. Saunderson, P. Rüßmann, Aga Shahee, T. Scholz, A. H. Tavabi, M. Gradhand, P. Mavropoulos, B. V. Lotsch, R. E. Dunin-Borkowski, Y. Mokrousov, S. Blügel and M. Kläui | Skyrmionic Spin Structures in Layered Fe5GeTe2 Up To Room Temperature | Communications Physics 5, 254 (2022) | https://doi.org/10.1038/s42005-022-01031-w |
| P. Rüßmann, and S. Blügel, | Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces, | Phys. Rev. B 105, 125143 (2022) | https://doi.org/10.1103/PhysRevB.105.125143 |
| H.-H. Yang, N. Bansal, P. Rüßmann, M. Hoffmann, L. Zhang, D. Go, Qili Li, A.-A. Haghighirad, K. Sen, S. Blügel, M. Le Tacon, Y. Mokrousov, and W. Wulfhekel | Magnetic domain walls of the van der Waals material Fe3GeTe2 | 2D Mater. 9, 025022 (2022) | https://doi.org/10.1088/2053-1583/ac5d0e |
| P. Rüßmann, J. Ribas Sobreviela, M. Sallermann, M. Hoffmann, F. Rhiem, and S. Blügel | The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations | Frontiers in Materials 9, 825043 (2022) | https://doi.org/10.3389/fmats.2022.825043 |
| Dos Santos, F. J. ; Biniskos, N. ; Raymond, S. ; Schmalzl, K. ; dos Santos Dias, M. ; Steffens, P. ; Persson, J. ; Blügel, S. ; Lounis, S. ; Brückel, T. | Spin waves in the collinear antiferromagnetic phase of Mn5Si3 | Physical review B 103(2), 024407 (2021). | https://doi.org/10.1103/PhysRevB.103.024407 |
| Mendive-Tapia, E. ; dos Santos Dias, M. ; Grytsiuk, S. ; Staunton, J. B. ; Blügel, S. ; Lounis, S. | Short period magnetization texture of B20-MnGe explained by thermally fluctuating local moments | Physical review B 103(2), 024410 (2021). | https://doi.org/10.1103/PhysRevB.103.024410 |
| Bouhassoune, M. ; Lounis, S. | Friedel Oscillations Induced by Magnetic Skyrmions: From Scattering Properties to All-Electrical Detection | Nanomaterials 11(1), 194 (2021). | https://doi.org/10.3390/nano11010194 |
| Rüßmann, P. ; Mavropoulos, P. ; Blügel, S. | Ab Initio Theory of Fourier-Transformed Quasiparticle Interference Maps and Application to the Topological Insulator Bi2Te3 | Physica status solidi B 258(1), 2000031 (2021). | https://doi.org/10.1002/pssb.202000031 |
| Rüßmann, P. ; Bertoldo, F. ; Blügel, S. | The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator | npj computational materials 7(1), 13 (2021). | https://doi.org/10.1038/s41524-020-00482-5 |
| Dos Santos, F. J. ; dos Santos Dias, M. ; Lounis, S. | Nonreciprocity of spin waves in noncollinear magnets due to the Dzyaloshinskii-Moriya interaction | Physical review B 102(10), 104401 (2020). | https://doi.org/10.1103/PhysRevB.102.104401 |
| Brinker, S. ; dos Santos Dias, M. ; Lounis, S. | Spin, atomic, and interatomic orbital magnetism induced by 3d nanostructures deposited on transition metal surfaces | Physical review materials 4(2), 024404 (2020). | https://doi.org/10.1103/PhysRevMaterials.4.024404 |
| Guimarães, F. S. M. ; Bouaziz, J. ; dos Santos Dias, M. ; Lounis, S. | Spin-orbit torques and their associated effective fields from gigahertz to terahertz | Communications Physics 3(1), 19 (2020). | https://doi.org/10.1038/s42005-020-0282-x |
| Grytsiuk, S. ; Hanke, J.-P. ; Hoffmann, M. ; Bouaziz, J. ; Gomonay, O. ; Bihlmayer, G. ; Lounis, S. ; Mokrousov, Y. ; Blügel, S. | Topological-chiral magnetic interactions driven by emergent orbital magnetism | Nature Communications 11(1), 511 (2020). | https://doi.org/10.1038/s41467-019-14030-3 |
| Bouaziz, J. ; Ibañez-Azpiroz, J. ; Guimarães, F. S. M. ; Lounis, S. | Zero-point magnetic exchange interactions | Physical review research 2(4), 043357 (2020). | https://doi.org/10.1103/PhysRevResearch.2.043357 |
| Boumrar, H. ; Hamidi, M. ; Zenia, H. ; Lounis, S. | Equivalence of wave function matching and Green’s functions methods for quantum transport: generalized Fisher-Lee relation | Journal of physics Condensed matter 32(35), 355302 (2020). | https://doi.org/10.1088/1361-648X/ab88f5 |
| Dos Santos, F. J. ; dos Santos Dias, M. ; Lounis, S. | Modeling spin waves in noncollinear antiferromagnets: Spin-flop states, spin spirals, skyrmions, and antiskyrmions | Physical review B 102(10), 104436 (2020). | https://doi.org/10.1103/PhysRevB.102.104436 |
| Jia, H. ; Zimmermann, B. ; Hoffmann, M. ; Sallermann, M. ; Bihlmayer, G. ; Blügel, S. | Material systems for FM-/AFM-coupled skyrmions in Co/Pt-based multilayers | Physical review materials 4(9), 094407 (2020). | https://doi.org/10.1103/PhysRevMaterials.4.094407 |
| Holl, C. ; Knol, M. ; Pratzer, M. ; Chico, J. ; Fernandes, I. L. ; Lounis, S. ; Morgenstern, M. | Probing the pinning strength of magnetic vortex cores with sub-nanometer resolution | Nature Communications 11(1), 2833 (2020). | https://doi.org/10.1038/s41467-020-16701-y |
| Bouaziz, J. ; Mendes Guimarães, F. S. ; Lounis, S. | A new view on the origin of zero-bias anomalies of Co atoms atop noble metal surfaces | Nature Communications 11(1), 6112 (2020). | https://doi.org/10.1038/s41467-020-19746-1 |
| Schneider, L. ; Brinker, S. ; Steinbrecher, M. ; Hermenau, J. ; Posske, T. ; dos Santos Dias, M. ; Lounis, S. ; Wiesendanger, R. ; Wiebe, J. | Controlling in-gap end states by linking nonmagnetic atoms and artificially-constructed spin chains on superconductors | Nature Communications 11(1), 4707 (2020). | https://doi.org/10.1038/s41467-020-18540-3 |
| Lounis, S. | Multiple-scattering approach for multi-spin chiral magnetic interactions: application to the one- and two-dimensional Rashba electron gas | New journal of physics 22(10), 103003 (2020). | https://doi.org/10.1088/1367-2630/abb514 |
| Brinker, S. ; dos Santos Dias, M. ; Lounis, S. | Prospecting chiral multisite interactions in prototypical magnetic systems | Physical review research 2(3), 033240 (2020). | https://doi.org/10.1103/PhysRevResearch.2.033240 |
| Arjana, I. G. ; Lima Fernandes, I. ; Chico, J. ; Lounis, S. | Sub-nanoscale atom-by-atom crafting of skyrmion-defect interaction profiles | Scientific reports 10(1), 14655 (2020). | https://doi.org/10.1038/s41598-020-71232-2 |
| Fernandes, I. L. ; Chico, J. ; Lounis, S. | Impurity-dependent gyrotropic motion, deflection and pinning of current-driven ultrasmall skyrmions in PdFe/Ir(111) surface | Journal of physics Condensed matter 32(42), 425802 (2020). | https://doi.org/10.1088/1361-648X/ab9cf0 |
| Liu, Z. ; dos Santos Dias, M. ; Lounis, S. | Theoretical investigation of antiferromagnetic skyrmions in a triangular monolayer | Journal of physics Condensed matter 32, 425801 (2020). | https://doi.org/10.1088/1361-648X/ab96ef |
| Chen, G. ; Mascaraque, A. ; Jia, H. ; Zimmermann, B. ; Robertson, M. ; Conte, R. L. ; Hoffmann, M. ; Gonz√ɬ°lez Barrio, M. A. ; Ding, H. ; Wiesendanger, R. ; Michel, E. G. ; Blügel, S. ; Schmid, A. K. ; Liu, K. | Large Dzyaloshinskii-Moriya interaction induced by chemisorbed oxygen on a ferromagnet surface | Science advances 6(33), eaba4924 (2020). | https://doi.org/10.1126/sciadv.aba4924 |
| Lima Fernandes, I. ; Bouhassoune, M. ; Lounis, S. | Defect-implantation for the all-electrical detection of non-collinear spin-textures | Nature Communications 11(1), 1602 (2020). | https://doi.org/10.1038/s41467-020-15379-6 |
| Jia, H. ; Zimmermann, B. ; Michalicek, G. ; Bihlmayer, G. ; Blügel, S. | Electric dipole moment as descriptor for interfacial Dzyaloshinskii-Moriya interaction | Physical review materials 4, 024405 (2020). | https://doi.org/10.1103/PhysRevMaterials.4.024405 |
| Kosma, A. ; Rüßmann, P. ; Blügel, S. ; Mavropoulos, P. | Strong spin-orbit torque effect on magnetic defects due to topological surface state electrons in Bi2Te 3 | Physical review B 102(14), 144424 (2020). | https://doi.org/10.1103/PhysRevB.102.144424 |
| Tcakaev, A. ; Zabolotnyy, V. B. ; Fornari, C. I. ; Rüßmann, P. ; Peixoto, T. R. F. ; Stier, F. ; Dettbarn, M. ; Kagerer, P. ; Weschke, E. ; Schierle, E. ; Bencok, P. ; Rappl, P. H. O. ; Abramof, E. ; Bentmann, H. ; Goering, E. ; Reinert, F. ; Hinkov, V. | Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te 3 | Physical review B 102(18), 184401 (2020). | https://doi.org/10.1103/PhysRevB.102.184401 |
| Peixoto, T. R. F. ; Bentmann, H. ; Rüßmann, P. ; Tcakaev, A.-V. ; Winnerlein, M. ; Schreyeck, S. ; Schatz, S. ; Vidal, R. C. ; Stier, F. ; Zabolotnyy, V. ; Green, R. J. ; Min, C. H. ; Fornari, C. I. ; Maaß, H. ; Vasili, H. B. ; Gargiani, P. ; Valvidares, M. ; Barla, A. ; Buck, J. ; Hoesch, M. ; Diekmann, F. ; Rohlf, S. ; Kalläne, M. ; Rossnagel, K. ; Gould, C. ; Brunner, K. ; Blügel, S. ; Hinkov, V. ; Molenkamp, L. W. ; Reinert, F. | Non-local effect of impurity states on the exchange coupling mechanism in magnetic topological insulators | npj quantum materials 5(1), 87 (2020). | https://doi.org/10.1038/s41535-020-00288-0 |
| Brinker, S. ; Dias, M. d. S. ; Lounis, S. | The chiral biquadratic pair interaction | New journal of physics 21(8), 083015 (2019). | https://doi.org/10.1088/1367-2630/ab35c9 |
| Zimmermann, B. ; Bihlmayer, G. ; Böttcher, M. ; Bouhassoune, M. ; Lounis, S. ; Sinova, J. ; Heinze, S. ; Blügel, S. ; Dupé, B. | Comparison of first-principles methods to extract magnetic parameters in ultrathin films: Co/Pt(111) | Physical review B 99(21), 214426 (2019). | https://doi.org/10.1103/PhysRevB.99.214426 |
| Popescu, V. ; Kratzer, P. ; Entel, P. ; Heiliger, C. ; Czerner, M. ; Tauber, K. ; Töpler, F. ; Herschbach, C. ; Fedorov, D. V. ; Gradhand, M. ; Mertig, I. ; Kováčçik, R. ; Mavropoulos, P. ; Wortmann, D. ; Blügel, S. ; Freimuth, F. ; Mokrousov, Y. ; Wimmer, S. ; Ködderitzsch, D. ; Seemann, M. ; Chadova, K. ; Ebert, H. | Spin caloric transport from density-functional theory | Journal of physics / D Applied physics D 52(7), 073001 (2019). | https://doi.org/10.1088/1361-6463/aae8c5 |
| Grytsiuk, S. ; Hoffmann, M. ; Hanke, J.-P. ; Mavropoulos, P. ; Mokrousov, Y. ; Bihlmayer, G. ; Blügel, S. | Ab initio analysis of magnetic properties of the prototype B20 chiral magnet FeGe | Physical review B 100(21), 214406 (2019). | https://doi.org/10.1103/PhysRevB.100.214406 |
| Guimarães, F. S. M. ; Suckert, J. R. ; Chico, J. ; Bouaziz, J. ; dos Santos Dias, M. ; Lounis, S. | Comparative study of methodologies to compute the intrinsic Gilbert damping: interrelations, validity and physical consequences | Journal of physics Condensed matter 31(25), 255802 (2019). | https://doi.org/10.1088/1361-648X/ab1239 |
| Bornemann, M. ; Grytsiuk, S. ; Baumeister, P. F. ; dos Santos Dias, M. ; Zeller, R. ; Lounis, S. ; Blügel, S. | Complex magnetism of B20-MnGe: from spin-spirals, hedgehogs to monopoles | Journal of physics Condensed matter 31(48), 485801 (2019). | https://doi.org/10.1088/1361-648X/ab38a0 |
| Drissi, L. B. ; Kanga, N. B. ; Lounis, S. ; Djeffal, F. ; Haddad, S. | Electron-phonon dynamics in 2D carbon based-hybrids XC (X=Si, Ge, Sn) | Journal of physics Condensed matter 31(13), 135702 (2019). | https://doi.org/10.1088/1361-648X/aaff3b |
| Brahimi, S. ; Bouzar, H. ; Lounis, S. | Impact of single atomic defects and vacancies on the magnetic anisotropy energy of CoPt thin films | Journal of physics Condensed matter 31, 435803 (2019). | https://doi.org/10.1088/1361-648X/ab2ffb |
| Bouaziz, J. ; dos Santos Dias, M. ; Guimarães, F. S. M. ; Lounis, S. | Spin dynamics of 3d and 4d impurities embedded in prototypical topological insulators | Physical review materials 3(5), 054201 (2019). | https://doi.org/10.1103/PhysRevMaterials.3.054201 |
| Hermenau, J. ; Brinker, S. ; Marciani, M. ; Steinbrecher, M. ; dos Santos Dias, M. ; Wiesendanger, R. ; Lounis, S. ; Wiebe, J. | Stabilizing spin systems via symmetrically tailored RKKY interactions | Nature Communications 10, 2565 (2019). | https://doi.org/10.1038/s41467-019-10516-2 |
| Smiri, A. ; Gerber, I. C. ; Lounis, S. ; Jaziri, S. | Dependence of the magnetic interactions in MoS2monolayer on Mn-doping configurations | Journal of physics Condensed matter 31(46), 465802 (2019). | https://doi.org/10.1088/1361-648X/ab360b |
| Schneider, L. ; Steinbrecher, M. ; Rózsa, L. ; Bouaziz, J. ; Palotás, K. ; dos Santos Dias, M. ; Lounis, S. ; Wiebe, J. ; Wiesendanger, R. | Magnetism and in-gap states of 3d transition metal atoms on superconducting Re | npj quantum materials 4(1), 42 (2019). | https://doi.org/10.1038/s41535-019-0179-7 |
| Bouhassoune, M. ; Fernandes, I. L. ; Blügel, S. ; Lounis, S. | Unoccupied surface and interface states in Pd thin films deposited on Fe/Ir(111) surface | New journal of physics 21(6), 063015 (2019). | https://doi.org/10.1088/1367-2630/ab2487 |
| Chaudhary, G. ; dos Santos Dias, M. ; MacDonald, A. H. ; Lounis, S. | Anatomy of magnetic anisotropy induced by Rashba spin-orbit interactions | Physical review B 98(13), 134404 (2018). | https://doi.org/10.1103/PhysRevB.98.134404 |
| Brinker, S. ; dos Santos Dias, M. ; Lounis, S. | Interatomic orbital magnetism: The case of3d adatoms deposited on the Pt(111) surface | Physical review B 98(9), 094428 (2018). | https://doi.org/10.1103/PhysRevB.98.094428 |
| Lima Fernandes, I. ; Bouaziz, J. ; Blügel, S. ; Lounis, S. | Universality of defect-skyrmion interaction profiles | Nature Communications 9(1), 4395 (2018). | https://doi.org/10.1038/s41467-018-06827-5 |
| Bouaziz, J. ; dos Santos Dias, M. ; Ibañez-Azpiroz, J. ; Lounis, S. | Ab initio investigation of impurity-induced in-gap states in Bi2Te3and Bi2Se 3 | Physical review B 98(3), 035119 (2018). | https://doi.org/10.1103/PhysRevB.98.035119 |
| Ibañez-Azpiroz, J. ; dos Santos Dias, M. ; Blügel, S. ; Lounis, S. | Spin-fluctuation and spin-relaxation effects of single adatoms from first principles | Journal of physics Condensed matter 30(34), 343002 (2018). | https://doi.org/10.1088/1361-648X/aad43d |
| Messaoudi, O. ; Ibañez-Azpiroz, J. ; Bouzar, H. ; Lounis, S. | Nondegenerate valleys in the half-metallic ferromagnet Fe / WS 2 | Physical review B 97(3), 035404 (2018). | https://doi.org/10.1103/PhysRevB.97.035404 |
| Bouaziz, J. ; dos Santos Dias, M. ; Guimaraes, F. ; Blügel, S. ; Lounis, S. | Impurity-induced orbital magnetization in a Rashba electron gas | Physical review B 98(12), 125420 (2018). | https://doi.org/10.1103/PhysRevB.98.125420 |
| Jia, H. ; Zimmermann, B. ; Blügel, S. | First-principles investigation of chiral magnetic properties in multilayers: Rh/Co/Pt and Pd/Co/Pt | Physical review B 98(14), 144427 (2018). | https://doi.org/10.1103/PhysRevB.98.144427 |
| Weber, A. P. ; Rüßmann, P. ; Xu, N. ; Muff, S. ; Fanciulli, M. ; Magrez, A. ; Bugnon, P. ; Berger, H. ; Plumb, N. C. ; Shi, M. ; Blügel, S. ; Mavropoulos, P. ; Dil, J. H. | Spin-Resolved Electronic Response to the Phase Transition in MoTe 2 | Physical review letters 121(15), 156401 (2018). | https://doi.org/10.1103/PhysRevLett.121.156401 |
| Rüßmann, P. ; Weber, A. P. ; Glott, F. ; Xu, N. ; Fanciulli, M. ; Muff, S. ; Magrez, A. ; Bugnon, P. ; Berger, H. ; Bode, M. ; Dil, J. H. ; Blügel, S. ; Mavropoulos, P. ; Sessi, P. | Universal scattering response across the type-II Weyl semimetal phase diagram | Physical review B 97(7), 075106 (2018). | https://doi.org/10.1103/PhysRevB.97.075106 |
| Rüßmann, P. ; Mahatha, S. K. ; Sessi, P. ; Valbuena, M. A. ; Bathon, T. ; Fauth, K. ; Godey, S. ; Mugarza, A. ; Kokh, K. A. ; Tereshchenko, O. E. ; Gargiani, P. ; Valvidares, M. ; Jimenez, E. ; Brookes, N. B. ; Bode, M. ; Bihlmayer, G. ; Blügel, S. ; Mavropoulos, P. ; Carbone, C. ; Barla, A. | Towards microscopic control of the magnetic exchange coupling at the surface of a topological insulator | JPhys materials 1(1), 015002 (2018). | https://doi.org/10.1088/2515-7639/aad02a |
| Zanolli, Z. ; Niu, C. ; Bihlmayer, G. ; Mokrousov, Y. ; Mavropoulos, P. ; Verstraete, M. J. ; Blügel, S. | Hybrid quantum anomalous Hall effect at graphene-oxide interfaces | Physical review B 98(15), 155404 (2018). | https://doi.org/10.1103/PhysRevB.98.155404 |
| Zimmermann, B. ; Legrand, W. ; Maccariello, D. ; Reyren, N. ; Cros, V. ; Blügel, S. ; Fert, A. | Dzyaloshinskii-Moriya interaction at disordered interfaces from ab initio theory: Robustness against intermixing and tunability through dusting | Applied physics letters 113(23), 232403 (2018). | https://doi.org/10.1063/1.5049876 |
| Dos Santos, F. J. ; dos Santos Dias, M. ; Guimaraes, F. ; Bouaziz, J. ; Lounis, S. | Spin-resolved inelastic electron scattering by spin waves in noncollinear magnets | Physical review B 97(2), 024431 (2018). | https://doi.org/10.1103/PhysRevB.97.024431 |
| Azpiroz, J. I. ; dos Santos Dias, M. ; Blügel, S. ; Lounis, S. | Longitudinal and transverse spin relaxation times of magnetic single adatoms: An ab initio analysis | Physical review B 96(14), 144410 (2017). | https://doi.org/10.1103/PhysRevB.96.144410 |
| Ogura, M. ; Fukushima, T. ; Zeller, R. ; Dederichs, P. H. | Structure of the high-entropy alloy Al CrFeCoNi: fcc versus bcc | Journal of alloys and compounds 715, 454 – 459 (2017). | https://doi.org/10.1016/j.jallcom.2017.04.318 |
| dos Santos, F. J. ; dos Santos Dias, M. ; Lounis, S. | First-principles investigation of spin-wave dispersions in surface-reconstructed Co thin films on W(110) | Physical review B 95(13), 134408 (2017). | https://doi.org/10.1103/PhysRevB.95.134408 |
| Bouaziz, J. ; dos Santos Dias, M. ; Ziane, A. ; Benakki, M. ; Blügel, S. ; Lounis, S. | Chiral magnetism of magnetic adatoms generated by Rashba electrons | New journal of physics 19(2), 023010 (2017). | https://doi.org/10.1088/1367-2630/aa59e8 |
| Fukushima, T. ; Katayama-Yoshida, H. ; Sato, K. ; Ogura, M. ; Zeller, R. ; Dederichs, P. H. | Local Energies and Energy Fluctuations — Applied to the High Entropy Alloy CrFeCoNi | Journal of the Physical Society of Japan 86(11), 114704 Р(2017). | https://doi.org/10.7566/JPSJ.86.114704 |
| Guimaraes, F. ; dos Santos Dias, M. ; Bouaziz, J. ; Costa, A. T. ; Muniz, R. B. ; Lounis, S. | Dynamical amplification of magnetoresistances and Hall currents up to the THz regime | Scientific reports 7(1), 3686 (2017). | https://doi.org/10.1038/s41598-017-03924-1 |
| Drissi, L. B. ; Ramadan, F. Z. ; Lounis, S. | Halogenation of SiC for band-gap engineering and excitonic functionalization | Journal of physics Condensed matter 29(45), 455001 (2017). | https://doi.org/10.1088/1361-648X/aa8b99 |
| Azpiroz, J. I. ; dos Santos Dias, M. ; Schweflinghaus, B. ; Blügel, S. ; Lounis, S. | Tuning Paramagnetic Spin Excitations of Single Adatoms | Physical review letters 119(1), 017203 (2017). | https://doi.org/10.1103/PhysRevLett.119.017203 |
| Guimaraes, F. ; dos Santos Dias, M. ; Schweflinghaus, B. ; Lounis, S. | Engineering elliptical spin-excitations by complex anisotropy fields in Fe adatoms and dimers on Cu(111) | Physical review B 96(14), 144401 (2017). | https://doi.org/10.1103/PhysRevB.96.144401 |
| Géranton, G. ; Zimmermann, B. ; Long, N. H. ; Mavropoulos, P. ; Blügel, S. ; Freimuth, F. ; Mokrousov, Y. | Nonlocal fieldlike spin-orbit torques in Rashba systems: Ab initio study of a Ag2Bi -terminated Ag(111) film grown on a ferromagnetic Fe(110) substrate | Physical review B 95(13), 134449 (2017). | https://doi.org/10.1103/PhysRevB.95.134449 |
| Hermenau, J. ; Azpiroz, J. I. ; Hübner, C. ; Sonntag, A. ; Baxevanis, B. ; Ton, K. T. ; Steinbrecher, M. ; Khajetoorians, A. A. ; dos Santos Dias, M. ; Blügel, S. ; Wiesendanger, R. ; Lounis, S. ; Wiebe, J. | A gateway towards non-collinear spin processing using three-atom magnets with strong substrate coupling | Nature Communications 8(1), 642 (2017). | https://doi.org/10.1038/s41467-017-00506-7 |
| Friedrich, R. ; Caciuc, V. ; Zimmermann, B. ; Bihlmayer, G. ; Atodiresei, N. ; Blügel, S. | Creating anisotropic spin-split surface states in momentum space by molecular adsorption | Physical review B 96(8), 085403 (2017). | https://doi.org/10.1103/PhysRevB.96.085403 |
| Hoffmann, M. ; Zimmermann, B. ; Müller, G. P. ; Schürhoff, D. ; Kiselev, N. S. ; Melcher, C. ; Blügel, S. | Antiskyrmions stabilized at interfaces by anisotropic Dzyaloshinskii-Moriya interactions | Nature Communications 8(1), 308 (2017). | https://doi.org/10.1038/s41467-017-00313-0 |
| Schweflinghaus, B. ; dos Santos Dias, M. ; Lounis, S. | Observing spin excitations in3d transition-metal adatoms on Pt(111) with inelastic scanning tunneling spectroscopy: A first-principles perspective | Physical review B 93(3), 035451 (2016). | https://doi.org/10.1103/PhysRevB.93.035451 |
| Khajetoorians, A. A. ; Steinbrecher, M. ; Ternes, M. ; Bouhassoune, M. ; dos Santos Dias, M. ; Lounis, S. ; Wiebe, J. ; Wiesendanger, R. | Tailoring the chiral magnetic interaction between two individual atoms | Nature Communications 7, 10620 (2016). | https://doi.org/10.1038/ncomms10620 |
| Brahimi, S. ; Bouzar, H. ; Lounis, S. | Giant perpendicular magnetic anisotropy energies in CoPt thin films: impact of reduced dimensionality and imperfections | Journal of physics Condensed matter 28(49), 496002 (2016). | https://doi.org/10.1088/0953-8984/28/49/496002 |
| Zimmermann, B. ; Long, N. H. ; Mavropoulos, P. ; Blügel, S. ; Mokrousov, Y. | Influence of complex disorder on skew-scattering Hall effects in L 1 0 -ordered FePt alloy | Physical review B 94(6), 060406 (2016). | https://doi.org/10.1103/PhysRevB.94.060406 |
| Bouaziz, J. ; Lounis, S. ; Blügel, S. ; Ishida, H. | Microscopic theory of the residual surface resistivity of Rashba electrons | Physical review B 94(4), 045433 (2016). | https://doi.org/10.1103/PhysRevB.94.045433 |
| Dang, H. T. ; dos Santos Dias, M. ; Liebsch, A. ; Lounis, S. | Strong correlation effects in theoretical STM studies of magnetic adatoms | Physical review B 93(11), 115123 (2016). | https://doi.org/10.1103/PhysRevB.93.115123 |
| Steinbrecher, M. ; Sonntag, A. ; dos Santos Dias, M. ; Bouhassoune, M. ; Lounis, S. ; Wiebe, J. ; Wiesendanger, R. ; Khajetoorians, A. A. | Absence of a spin-signature from a single Ho adatom as probed by spin-sensitive tunneling | Nature Communications 7, 10454 (2016). | https://doi.org/10.1038/ncomms10454 |
| dos Santos Dias, M. ; Bouaziz, J. ; Bouhassoune, M. ; Blügel, S. ; Lounis, S. | Chirality-driven orbital magnetic moments as a new probe for topological magnetic structures | Nature Communications 7, 13613 (2016). | https://doi.org/10.1038/ncomms13613 |
| Long, N. H. ; Mavropoulos, P. ; Zimmermann, B. ; Blügel, S. ; Mokrousov, Y. | Giant spin Nernst effect induced by resonant scattering at surfaces of metallic films | Physical review B 93(18), 180406 (2016). | https://doi.org/10.1103/PhysRevB.93.180406 |
| Zimmermann, B. ; Mavropoulos, P. ; Long, N. H. ; Gerhorst, C.-R. ; Blügel, S. ; Mokrousov, Y. | Fermi surfaces, spin-mixing parameter, and colossal anisotropy of spin relaxation in transition metals from ab initio theory | Physical review B 93(14), 144403 (2016). | https://doi.org/10.1103/PhysRevB.93.144403 |
| Geranton, G. ; Zimmermann, B. ; Long, N. H. ; Mavropoulos, P. ; Blügel, S. ; Freimuth, F. ; Mokrousov, Y. | Spin-orbit torques and spin accumulation in FePt/Pt and Co/Cu thin films from first principles: The role of impuritiesra | Physical review B 93, 224420 (2016). | https://doi.org/10.1103/PhysRevB.93.224420 |
| Bouhassoune, M. ; dos Santos Dias, M. ; Zimmermann, B. ; Dederichs, P. H. ; Lounis, S. | RKKY-like contributions to the magnetic anisotropy energy:3d adatoms on Pt(111) surface | Physical review B 94(12), 125402 (2016). | https://doi.org/10.1103/PhysRevB.94.125402 |
| Sessi, P. ; Rüßmann, P. ; Bathon, T. ; Barla, A. ; Kokh, K. A. ; Tereshchenko, O. E. ; Fauth, K. ; Mahatha, S. K. ; Valbuena, M. A. ; Godey, S. ; Glott, F. ; Mugarza, A. ; Gargiani, P. ; Valvidares, M. ; Long, N. H. ; Carbone, C. ; Mavropoulos, P. ; Blügel, S. ; Bode, M. | Superparamagnetism-induced mesoscopic electron focusing in topological insulators | Physical review B 94(7), 075137 (2016). | https://doi.org/10.1103/PhysRevB.94.075137 |
| Azpiroz, J. I. ; dos Santos Dias, M. ; Blügel, S. ; Lounis, S. | Zero-Point Spin-Fluctuations of Single Adatoms | Nano letters 16(7), 4305 – 4311 (2016). | https://doi.org/10.1021/acs.nanolett.6b01344 |
| Long, N. H. ; Mavropoulos, P. ; Bauer, D. ; Zimmermann, B. ; Mokrousov, Y. ; Blügel, S. | Strong spin-orbit fields and Dyakonov-Perel spin dephasing in supported metallic films | Physical review B 94(18), 180406 (2016). | https://doi.org/10.1103/PhysRevB.94.180406 |
| Schweflinghaus, B. ; Zimmermann, B. ; Heide, M. ; Bihlmayer, G. ; Blügel, S. | Role of Dzyaloshinskii-Moriya interaction for magnetism in transition-metal chains at Pt step edges | Physical review B 94(2), 024403 (2016). | https://doi.org/10.1103/PhysRevB.94.024403 |
| Zeller, R. | Dirac Green function for angular projection potentials | Journal of physics Condensed matter 27(46), 465201 – (2015). | https://doi.org/10.1088/0953-8984/27/46/465201 |
| Thiess, A. ; Blügel, S. ; Dederichs, P. H. ; Zeller, R. ; Lambrecht, W. R. L. | Systematic study of the exchange interactions in Gd-doped GaN containing N interstitials, O interstitials, or Ga vacancies | Physical review B 92(10), 104418 (2015). | https://doi.org/10.1103/PhysRevB.92.104418 |
| Fukushima, T. ; Shinya, H. ; Fujii, H. ; Sato, K. ; Katayama-Yoshida, H. ; Dederichs, P. H. | First principles studies of GeTe based dilute magnetic semiconductors | Journal of physics Condensed matter 27(1), 015501 (2015). | https://doi.org/10.1088/0953-8984/27/1/015501 |
| Zeller, R. | The Korringa-Kohn-Rostoker method with projection potentials: exact result for the density | Journal of physics Condensed matter 27(30), 306301 (2015). | https://doi.org/10.1088/0953-8984/27/30/306301 |
| dos Santos Dias, M. ; Schweflinghaus, B. ; Blügel, S. ; Lounis, S. | Relativistic dynamical spin excitations of magnetic adatoms | Physical review B 91(7), 075405 (2015). | https://doi.org/10.1103/PhysRevB.91.075405 |
| Guimaraes, F. ; Lounis, S. ; Costa, A. T. ; Muniz, R. B. | Dynamical current-induced ferromagnetic and antiferromagnetic resonances | Physical review B 92(22), 220410 (2015). | https://doi.org/10.1103/PhysRevB.92.220410 |
| Kovacik, R. ; Mavropoulos, P. ; Blügel, S. | Spin transport and spin-caloric effects in (Cr,Zn)Te half-metallic nanostructures: Effect of spin disorder at elevated temperatures from first principles | Physical review B 91(1), 014421 (2015). | https://doi.org/10.1103/PhysRevB.91.014421 |
| Gayles, J. ; Freimuth, F. ; Schena, T. ; Lani, G. ; Mavropoulos, P. ; Duine, R. A. ; Blügel, S. ; Sinova, J. ; Mokrousov, Y. | Dzyaloshinskii-Moriya Interaction and Hall Effects in the Skyrmion Phase of Mn 1 – x Fe x Ge | Physical review letters 115(3), 036602 (2015). | https://doi.org/10.1103/PhysRevLett.115.036602 |
| Jakobsson, A. ; Mavropoulos, P. ; Şaşıoğlu, E. ; Blügel, S. ; Ležaić, M. ; Sanyal, B. ; Galanakis, I. | First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors | Physical review B 91(17), 174439 (2015). | https://doi.org/10.1103/PhysRevB.91.174439 |
| Lounis, S. ; dos Santos Dias, M. ; Schweflinghaus, B. | Transverse dynamical magnetic susceptibilities from regular static density functional theory: Evaluation of damping and g shifts of spin excitations | Physical review B 91(10), 104420 (2015). | https://doi.org/10.1103/PhysRevB.91.104420 |
| Crum, D. ; Bouhassoune, M. ; Bouaziz, J. ; Schweflinghaus, B. ; Blügel, S. ; Lounis, S. | Perpendicular reading of single confined magnetic skyrmions | Nature Communications 6, 8541 (2015). | https://doi.org/10.1038/ncomms9541 |
| Zimmermann, B. ; Chadova, K. ; Ködderitzsch, D. ; Blügel, S. ; Ebert, H. ; Fedorov, D. V. ; Long, N. H. ; Mavropoulos, P. ; Mertig, I. ; Mokrousov, Y. ; Gradhand, M. | Skew scattering in dilute ferromagnetic alloys | Physical review B 90(22), 220403 (2014). | https://doi.org/10.1103/PhysRevB.90.220403 |
| Fukushima, T. ; Katayama-Yoshida, H. ; Sato, K. ; Bihlmayer, G. ; Mavropoulos, P. ; Bauer, D. ; Zeller, R. ; Dederichs, P. H. | Hubbard U calculations for gap states in dilute magnetic semiconductors | Journal of physics Condensed matter 26(27), 274202 (2014). | https://doi.org/10.1088/0953-8984/26/27/274202 |
| Bouhassoune, M. ; Zimmermann, B. ; Mavropoulos, P. ; Wortmann, D. ; Dederichs, P. H. ; Blügel, S. ; Lounis, S. | Quantum well states and amplified spin-dependent Friedel oscillations in thin films | Nature Communications 5, 5558 (2014). | https://doi.org/10.1038/ncomms6558 |
| Kováčçik, R. ; Mavropoulos, P. ; Wortmann, D. ; Blügel, S. | Spin-caloric transport properties of cobalt nanostructures: Spin disorder effects from first principles | Physical review B 89(13), 1-9 (2014). | https://doi.org/10.1103/PhysRevB.89.134417 |
| Fukushima, T. ; Katayama-Yoshida, H. ; Sato, K. ; Fujii, H. ; Rabel, E. ; Zeller, R. ; Dederichs, P. H. ; Zhang, W. ; Mazzarello, R. | First-principles study of magnetic interactions in $3d$ transition metal-doped phase-change materials | Physical review B 90(14), 144417 (2014). | https://doi.org/10.1103/PhysRevB.90.144417 |
| Schweflinghaus, B. ; dos Santos Dias, M. ; Costa, A. T. ; Lounis, S. | Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation | Physical review B 89(23), 235439 (2014). | https://doi.org/10.1103/PhysRevB.89.235439 |
| Lounis, S. | Non-collinear magnetism induced by frustration in transition-metal nanostructures deposited on surfaces | Journal of physics Condensed matter 26(27), 273201 (2014). | https://doi.org/10.1088/0953-8984/26/27/273201 |
| Prüser, H. ; Dargel, P. E. ; Bouhassoune, M. ; Ulbrich, R. G. ; Pruschke, T. ; Lounis, S. ; Wenderoth, M. | Interplay between the Kondo effect and the Ruderman-Kittel-Kasuya-Yosida interaction | Nature Communications 5, 5417 (2014). | https://doi.org/10.1038/ncomms6417 |
| Long, N. H. ; Mavropoulos, P. ; Zimmermann, B. ; Bauer, D. ; Blügel, S. ; Mokrousov, Y. | Spin relaxation and spin Hall transport in 5d transition-metal ultrathin films | Physical review B 90(6), 064406 (2014). | https://doi.org/10.1103/PhysRevB.90.064406 |
| Lounis, S. ; Schweflinghaus, B. ; dos Santos Dias, M. ; Bouhassoune, M. ; Muniz, R. B. ; Costa, A. T. | Theoretical probing of inelastic spin-excitations in adatoms on surfaces | Surface science 630, 317 – 324 (2014). | https://doi.org/10.1016/j.susc.2014.07.014 |
| Zeller, R. | Large scale supercell calculations for forces around substitutional defects in NiTi | Physica status solidi / B 251(10), 2048 – 2054 (2014). | https://doi.org/10.1002/pssb.201350406 |
| Zimmermann, B. ; Heide, M. ; Bihlmayer, G. ; Blügel, S. | First-principles analysis of a homochiral cycloidal magnetic structure in a monolayer Cr on W(110) | Physical review B 90(11), 115427 (2014). | https://doi.org/10.1103/PhysRevB.90.115427 |
| Kashid, V. ; Schena, T. ; Zimmermann, B. ; Mokrousov, Y. ; Blügel, S. ; Shah, V. ; Salunke, H. G. | Dzyaloshinskii-Moriya interaction and chiral magnetism in 3d √¢ÀÜ‚Äô 5d zigzag chains: Tight-binding model and ab initio calculations | Physical review B 90(5), 054412 (2014). | https://doi.org/10.1103/PhysRevB.90.054412 |
| Mokrousov, Y. ; Zhang, H. ; Freimuth, F. ; Zimmermann, B. ; Long, N. H. ; Weischenberg, J. ; Souza, I. ; Mavropoulos, P. ; Blügel, S. | Anisotropy of spin relaxation and transverse transport in metals | Journal of physics Condensed matter 25(16), 163201 (2013). | https://doi.org/10.1088/0953-8984/25/16/163201 |
| Long, N. H. ; Mavropoulos, P. ; Heers, S. ; Zimmermann, B. ; Mokrousov, Y. ; Blügel, S. | Spin-flip hot spots in ultrathin films of monovalent metals: Enhancement and anisotropy of the Elliott-Yafet parameter | Physical review B 88(14), 144408 (2013). | https://doi.org/10.1103/PhysRevB.88.144408 |
| Konstantinidis, N. P. ; Lounis, S. | Design of magnetic textures of nanocorrals with an extra adatom | Physical review B 88, 184414 (2013). | https://doi.org/10.1103/PhysRevB.88.184414 |
| Khajetoorians, A. A. ; Schlenk, T. ; Schweflinghaus, B. ; dos Santos Dias, M. ; Steinbrecher, M. ; Bouhassoune, M. ; Lounis, S. ; Wiebe, J. ; Wiesendanger, R. | Spin Excitations of Individual Fe Atoms on Pt(111): Impact of the Site-Dependent Giant Substrate Polarization | Physical review letters 111(15), 157204 (2013). | https://doi.org/10.1103/PhysRevLett.111.157204 |
| Holzberger, S. ; Schuh, T. ; Blügel, S. ; Lounis, S. ; Wulfhekel, W. | Parity Effect in the Ground state Localization of Antiferromagnetic Chains Coupled to a Ferromagnet | Physical review letters 110(15), 157206 (2013). | https://doi.org/10.1103/PhysRevLett.110.157206 |
| Khajetoorians, A. A. ; Baxevanis, B. ; Hubner, C. ; Schlenk, T. ; Krause, S. ; Wehling, T. O. ; Lounis, S. ; Lichtenstein, A. ; Pfannkuche, D. ; Wiebe, J. ; Wiesendanger, R. | Current-Driven Spin Dynamics of Artificially Constructed Quantum Magnets | Science 339(6115), 55 – 59 (2013). | https://doi.org/10.1126/science.1228519 |
| Zeller, R. | Projection potentials and angular momentum convergence of total energies in the full-potential Korringa-Kohn-Rostoker method | Journal of physics Condensed matter 25(10), 105505 – (2013). | https://doi.org/10.1088/0953-8984/25/10/105505 |
| Long, N. H. ; Mavropoulos, P. ; Zimmermann, B. ; Heers, S. ; Bauer, D. ; Blügel, S. ; Mokrousov, Y. | Spin relaxation and the Elliott-Yafet parameter in W(001) ultrathin films: Surface states, anisotropy, and oscillation effects | Physical review B 87, 224420 (2013). | https://doi.org/10.1103/PhysRevB.87.224420 |
| Gupta, K. ; Mahadevan, P. ; Mavropoulos, P. ; Ležaić, M. | Orbital-Ordering-Induced Ferroelectricity in SrCrO_{3} | Physical review letters 111(7), 077601 (2013). | https://doi.org/10.1103/PhysRevLett.111.077601 |
| Jakobsson, A. ; Şaşıoğlu, E. ; Mavropoulos, P. ; Le√Ö¬æai√тİ, M. ; Sanyal, B. ; Bihlmayer, G. ; Blügel, S. | Tuning the Curie temperature of FeCo compounds by tetragonal distortion | Applied physics letters 103(10), 102404 (2013). | https://doi.org/10.1063/1.4819773 |
| Ležaić, M. ; Mavropoulos, P. ; Bihlmayer, G. ; Blügel, S. | Exchange interactions and local-moment fluctuation corrections in ferromagnets at finite temperatures based on noncollinear density-functional calculations | Physical review B 88(13), 134403 (2013). | https://doi.org/10.1103/PhysRevB.88.134403 |
| Zhang, W. ; Thiess, A. ; Zalden, P. ; Zeller, R. ; Dederichs, P. H. ; Raty, J.-Y. ; Wuttig, M. ; Blügel, S. ; Mazzarello, R. | Role of vacancies in metal-insulator transitions of crystalline phase-change materials | Nature materials 11, 952 – 956 (2012). | https://doi.org/10.1038/nmat3456 |
| Heers, S. ; Mavropoulos, P. ; Lounis, S. ; Zeller, R. ; Blügel, S. | Lifetime reduction of surface states at Cu, Ag, and Au(111) caused by impurity scattering | Physical review B 86, 125444 (2012). | https://doi.org/10.1103/PhysRevB.86.125444 |
| Thiess, A. ; Dederichs, P. H. ; Zeller, R. ; Blügel, S. ; Lambrecht, W. R. L. | Superparamagetism in Gd-doped GaN induced by Ga-vacancy clustering | Physical review B 86, 180401 (2012). | https://doi.org/10.1103/PhysRevB.86.180401 |
| Thiess, A. ; Zeller, R. ; Bolten, M. ; Dederichs, P. H. ; Blügel, S. | Massively parallel density functional calculations for thousands of atoms: KKRnano | Physical review B 85, 235103 (2012). | https://doi.org/10.1103/PhysRevB.85.235103 |
| Bolten, M. ; Thiess, A. ; Yavneh, I. ; Zeller, R. | Preconditioning systems arising from the KKR Green function method using block-circulant matrices | Linear algebra and its applications 436, 436 – 446 (2012). | https://doi.org/10.1016/j.laa.2011.05.019 |
| Long, N. H. ; Ogura, M. ; Akai, H. | Spin-wave excitations in half-metallic materials | Physical review B 85, 224437 (2012). | https://doi.org/10.1103/PhysRevB.85.224437 |
| Zimmermann, B. ; Mavropoulos, P. ; Heers, S. ; Long, N. ; Blügel, S. ; Mokrousov, Y. | Anisotropy of Spin Relaxation in Metals | Physical review letters 109(23), 236603 (2012). | https://doi.org/10.1103/PhysRevLett.109.236603 |
| Slipukhina, I. ; Mavropoulos, P. ; Blügel, S. ; Lezaic, M. | Ferromagnetic Spin Coupling of 2p Impurities in Band Insulators Stabilized by an Intersite Coulomb Interaction: Nitrogen-Doped MgO | Physical review letters 107, 137203 (2011). | https://doi.org/10.1103/PhysRevLett.107.137203 |
| Lounis, S. ; Zahn, P. ; Weismann, A. ; Wenderoth, M. ; Ulbrich, R. G. ; Mertig, I. ; Dederichs, P. H. ; Blügel, S. | Theory of real space imaging of Fermi surface parts | Physical review B 83, 35427 (2011). | https://doi.org/10.1103/PhysRevB.83.035427 |
| Bergqvist, L. ; Sato, K. ; Katayama-Yoshida, H. ; Dederichs, P. H. | Computational materials design for high-T(c) (Ga,Mn)As with Li codoping | Physical review B 83, 165201 (2011). | https://doi.org/10.1103/PhysRevB.83.165201 |
| Fujii, H. ; Sato, K. ; Bergqvist, L. ; Dederichs, P. H. ; Katayama-Yoshida, H. | Interstitial Donor Codoping Method in (Ga,Mn)As to Increase Solubility of Mn and Curie Temperature | Applied physics express 4, 043003 (2011). | https://doi.org/10.1143/APEX.4.043003 |
| Meier, F. ; Lounis, S. ; Wiebe, J. ; Zhou, L. ; Heers, S. ; Mavropoulos, P. ; Dederichs, P. H. ; Blügel, S. ; Wiesendanger, R. | Spin polarization of platinum (111) induced by the proximity to cobalt nanostripes | Physical review B 83, 075407 (2011). | https://doi.org/10.1103/PhysRevB.83.075407 |
| Carbone, C. ; Gardonio, S. ; Moras, P. ; Lounis, S. ; Heide, M. ; Bihlmayer, G. ; Atodiresei, N. ; Dederichs, P. H. ; Blügel, S. ; Vlaic, S. ; Lehnert, A. ; Ouazi, S. ; Rusponi, S. ; Brune, H. ; Honolka, J. ; Enders, A. ; Kern, K. ; Stepanow, S. ; Krull, C. ; Balashov, T. ; Mugarza, A. ; Gambardella, P. | Self-Assembled Nanometer-Scale Magnetic Networks on Surfaces: Fundamental Interactions and Functional Properties | Advanced functional materials 21, 1212 – 1228 (2011). | https://doi.org/10.1002/adfm.201001325 |
| Sandratskii, L. M. ; Mavropoulos, P. | Magnetic excitations and femtomagnetism of FeRh: A first-principles study | Physical review B 83, 174408 (2011). | https://doi.org/10.1103/PhysRevB.83.174408 |
| Bauer, D. ; Mavropoulos, P. ; Lounis, S. ; Blügel, S. | Thermally activated magnetization reversal in monatomic magnetic chains on surfaces studied by classical atomistic spin-dynamics simulations | Journal of physics Condensed matter 23, 394204 (2011). | https://doi.org/10.1088/0953-8984/23/39/394204 |
| Ležaić, M. ; Mavropoulos, P. ; Blügel, S. ; Ebert, H. | Complex magnetic behavior and high spin polarization in Fe$_{3-x}$Mn$_{x}$Si alloys | Physical review B 83, 094434 (2011). | https://doi.org/10.1103/PhysRevB.83.094434 |
| Mavropoulos, P. ; Lounis, S. ; Blügel, S. | Exchange coupling in transition-metal nanoclusters on Cu(001) and Cu(111) surfaces | Physica status solidi / B 1187 – 1196 (2010).” | https://doi.org/10.1002/pssb.200945535 |
| Han, X. J. ; Bergqvist, L. ; Dederichs, P. H. ; Müller-Krumbhaar, H. ; Christie, J. ; Scandolo, S. ; Tangney, P. | Polarizable interatomic force field for TiO2 parametrized using density functional theory | Physical review B 81, (2010). | https://doi.org/10.1103/PhysRevB.81.134108 |
| Sato, K. ; Bergqvist, L. ; Kudrnovsky, J. ; Dederichs, P. H. ; Eriksson, O. ; Turek, I. ; Sanyal, B. ; Bouzerar, G. ; Katayama-Yoshida, H. ; Dinh, V. A. ; Fukushima, T. ; Kizaki, H. ; Zeller, R. | First-principles theory of dilute magnetic semiconductors | Reviews of modern physics 82, 1633 – 1690 (2010). | https://doi.org/10.1103/RevModPhys.82.1633 |
| Lounis, S. ; Dederichs, P. H. | Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co | Physical review B 82, 180404 (2010). | https://doi.org/10.1103/PhysRevB.82.180404 |
| Zhou, L. ; Wiebe, J. ; Lounis, S. ; Vedmedenko, E. ; Meier, F. ; Blügel, S. ; Dederichs, P. H. ; Wiesendanger, R. | Strength and directionality of surface Ruderman-Kittel-Kasuya-Yosida interaction mapped on the atomic scale | Nature physics 6, (2010). | https://doi.org/10.1038/nphys1514 |
| Slipukhina, I. ; Arras, E. ; Mavropoulos, P. ; Pochet, P. | Simulation of the enhanced Curie temperature in Mn5Ge3Cx compounds | Applied physics letters 94, 192505 (2009). | https://doi.org/10.1063/1.3134482 |
| Mavropoulos, P. ; Lezaic, M. ; Blügel, S. | Ferromagnetism in nitrogen-doped MgO: Density-functional calculations | Physical review B 80, 184403 (2009). | https://doi.org/10.1103/PhysRevB.80.184403 |
| Costi, T. A. ; Bergqvist, L. ; Weichselbaum, A. ; von Delft, J. ; Micklitz, T. ; Rosch, A. ; Mavropoulos, P. ; Dederichs, P. H. ; Mallet, F. ; Saminadayar, L. ; Bäuerle, C. | Kondo Decoherence: finding the right spin model for iron impurities in gold and silver | Physical review letters 102, 056802 (2009). | https://doi.org/10.1103/PhysRevLett.102.056802 |
| Zeller, R. | Linear-scaling total-energy with the tight-binding Korringa-Kohn-Rostoker Green function method | Philosophical magazine A 88, 2807 – 2815 (2008). | https://doi.org/10.1080/14786430802406256 |
| Zeller, R. | Towards a linear-scaling algorithm for electronic structure calculations with the tight-binding Korringa-Kohn-Rostoker Green function method | Journal of physics Condensed matter 20, 294215 (2008). | https://doi.org/10.1088/0953-8984/29/294215 |
| Lounis, S. ; Reif, M. ; Mavropoulos, P. ; Glaser, L. ; Dederichs, P. H. ; Martins, M. ; Blügel, S. ; Wurth, W. | Non-collinear magnetism of Cr nanostructures on Fe3ML/Cu(001): First principles and experimental investigations | Europhysics Letters 81, 47004 (2008). | https://doi.org/10.1209/0295-5075/81/47004 |
| Atodiresei, N. ; Dederichs, P. H. ; Mokrousov, Y. ; Bergqvist, L. ; Bihlmayer, G. ; Blügel, S. | Controlling the magnetization direction in molecules via their oxidation state | Physical review letters 100, 117207 (2008). | https://doi.org/10.1103/PhysRevLett.100.117207 |
| Mavropoulos, P. | Spin injection from Fe into Si(001): Ab initio calculations and role of the Si complex band structure | Physical review B 78, 054446 (2008). | https://doi.org/10.1103/PhysRevB.78.054446 |
| Zeller, R. | Improving the charge density normalization in Korringa-Kohn-Rostoker Green-function calculations | Journal of physics Condensed matter 20, 035220 (2008). | https://doi.org/10.1088/0953-8984/20/03/035220 |
| Mavropoulos, P. ; Galanakis, I. | A review of the electronic and magnetic properties of tetrahedrally bonded half-metallic ferromagnets | Journal of physics Condensed matter 19, 315221 (2007). | https://doi.org/10.1088/0953-8984/19/31/315221 |
| Galanakis, I. ; Mavropoulos, P. | Spin-polarization and electronic properties of half-metallic Heusler alloys calculated from first principles | Journal of physics Condensed matter 19, 315213 (2007). | https://doi.org/10.1088/0953-8984/19/31/315213 |
| Lounis, S. ; Mavropoulos, P. ; Zeller, R. ; Dederichs, P. H. ; Blügel, S. | Noncollinear magnetism of Cr and Mn nanoclusters on Ni(111): Changing the magnetic configuration atom by atom | Physical review B 75, 174436 (2007). | https://doi.org/10.1103/PhysRevB.75.174436 |
| Lezaic, M. ; Mavropoulos, P. ; Blügel, S. | First-principles prediction of high Curie temperature for ferromagnetic bcc-Co and bcc-FeCo alloys and its relevance to tunneling magnetoresistance | Applied physics letters 90, 082504 (2007). | https://doi.org/10.1063/1.2710181 |
| Katayama-Yoshida, H. ; Sato, K. ; Fukushima, T. ; Toyoda, M. ; Kizaki, H. ; Dinh, V. A. ; Dederichs, P. H. | Computational nano-materials design for high-TC ferromagnetism in wide-gap magnetic semiconductors | Journal of magnetism and magnetic materials 310, 2070 – 2077 (2007). | https://doi.org/10.1016/j.jmmm.2006.10.1120 |
| Belhadji, B. ; Bergqvist, L. ; Zeller, R. ; Dederichs, P. H. ; Sato, K. ; Katayama-Yoshida, H. | Trends of exchange interactions in dilute magnetic semiconductors | Journal of physics Condensed matter 19, 436227 (2007). | https://doi.org/10.1088/0953-8984/19/43/436227 |
| Sato, K. ; Dederichs, P. H. ; Katayama-Yoshida, H. | First-Principles Study on the Ferromagnetism and Curie Temperature of Mn-Doped AlX and InX (X = N, P, As and Sb) | Journal of the Physical Society of Japan 76, 024717 (2007). | https://doi.org/10.1143/JPSJ.76.024717 |
| Bowen, M. ; Maurice, J.-L. ; Barthélémy, A. ; Bibes, M. ; Imhoff, D. ; Bellini, V. ; Bertacco, R. ; Wortmann, D. ; Seneor, P. ; Jacquet, E. ; Vaurès, A. ; Humbert, J. ; Contour, J.-P. ; Colliex, C. ; Blügel, S. ; Dederichs, P. H. | Using half-metallic manganite interfaces to reveal insights into spintronics | Journal of physics Condensed matter 19, 315208 (2007). | https://doi.org/10.1088/0953-8984/19/31/315208 |
| Katayama-Yoshida, H. ; Sato, K. ; Fukushima, T. ; Toyoda, H. ; Kizaki, H. ; Dinh, V. A. ; Dederichs, P. H. | Theory of ferromagnetic semiconductors | Physica status solidi / A 204, 3 (2007). | https://doi.org/10.1002/pssa.200790001 |
| Bergqvist, L. ; Dederichs, P. H. | A theoretical study of half-metallic antiferromagnetic diluted magnetic semiconductors | Journal of physics Condensed matter 19, 216220 (2007). | https://doi.org/10.1088/0953-8984/19/21/216220 |
| Lounis, S. ; Mavropoulos, P. ; Dederichs, P. H. ; Blügel, S. | Surface-state scattering by adatoms on noble metals: Ab initio calculations using the Korringa-Kohn-Rostoker Green function method | Physical review B 73, 195421 (2006). | https://doi.org/10.1103/PhysRevB.73.195421 |
| Sato, K. ; Dederichs, P. H. ; Katayama-Yoshida, H. | Curie temperatures of dilute magnetic semiconductors from LDA+U electronic structure calculations | Physica / B 376-377, 639 – 642 (2006). | https://doi.org/10.1016/j.physb.2005.12.161 |
| Mavropoulos, P. ; Lounis, S. ; Zeller, R. ; Blügel, S. | Fe clusters on Ni and Cu: size and shape dependence of the spin moment | Applied physics / A 82, 103 – 107 (2006). | https://doi.org/10.1007/s00339-005-3340-z |
| Galanakis, I. ; Mavropoulos, P. ; Dederichs, P. H. | Electronic structure and Slater-Pauling behaviour in half-metallic Heusler alloys calculated from first principles | Journal of physics / D 39, 765 – 775 (2006). | https://doi.org/10.1088/0022-3727/39/5/S01 |
| Höhler, H. ; Atodiresei, N. ; Schroeder, K. ; Zeller, R. ; Dederichs, P. H. | Impurity-Vacancy Complexes in Si and Ge | Hyperfine interactions 158, 37 – 40 (2006). | https://doi.org/10.1007/s10751-005-9005-7 |
| Zecha, C. ; Ebert, H. ; Akai, H. ; Dederichs, P. H. ; Zeller, R. | Hyperfine Fields of Light Interstitial Impurities in Ni | Hyperfine interactions 158, 59 – 62 (2006). | https://doi.org/10.1007/s10751-005-9008-4 |
| Ebert, H. ; Bornemann, S. ; Minar, J. ; Dederichs, P. H. ; Zeller, R. ; Cabria, I. | Magnetic Properties of Co- and FePt-Clusters | Computational materials science 35, 279 – 282 (2006). | https://doi.org/10.1016/j.commatsci.2004.09.054 |
| Fukushima, T. ; Sato, K. ; Katayama-Yoshida, H. ; Dederichs, P. H. | Ab initio study of spinodal decomposition in (Zn,Cr) Te | Physica status solidi / A 203, 2751 – 2755 (2006). | https://doi.org/10.1002/pssa.200669608 |
| Dederichs, P. H. ; Szotek, Z. ; Ordejon, P. | Scientific highlights from the Psi(k) network: Towards atomistic materials design | Physica status solidi / B 243, 2445 (2006). | https://doi.org/10.1002/pssb.200690020 |
| Fukushima, T. ; Sato, K. ; Katayama-Yoshida, H. ; Dederichs, P. H. | Spinodal decomposition under layer by layer growth condition and high Curie temperature quasi-one-dimensional nano-structure in dilute magnetic semiconductors | Japanese journal of applied physics 45, (2006). | https://doi.org/10.1143/JJAP.45.L416 |
| Lezaic, M. ; Mavropoulos, P. ; Bihlmayer, G. ; Blügel, S. | Scanning tunnelling microscopy of surfaces of half-metals: an ab-initio study on NiMnSb(001) | Journal of physics / D 39, 797 – 802 (2006). | https://doi.org/10.1088/0022-3727/39/5/S05 |
| Fukushima, T. ; Sato, K. ; Yoshida, H. K. ; Dederichs, P. H. | Theoretical investigations of magnetic properties in (Zn, Cr)Te by first principles calculations | Physica / B 376-377, 786 – 789 (2006). | https://doi.org/10.1016/j.physb.2005.12.197 |
| Bowen, M. ; Barthelemy, A. ; Bellini, V. ; Dederichs, P. H. | Observation of Fowler-Nordheim hole tunneling across an electron tunnel junction due to total symmetry filtering | Physical review B 73, 140408 (2006). | https://doi.org/10.1103/PhysRevB.73.140408 |
| Moras, P. ; Ferrari, L. ; Spezzani, C. ; Gardonio, S. ; Lezaic, M. ; Mavropoulos, P. ; Blügel, S. ; Carbone, C. | Probing Quasiparticle States Bound by Disparate Periodic Potentials | Physical review letters 97, 206802 (2006). | https://doi.org/10.1103/PhysRevLett.97.206802 |
| Chioncel, L. ; Mavropoulos, P. ; Lezaic, M. ; Blügel, S. ; Arrigoni, E. ; Katsnelson, M. I. ; Lichtenstein, A. I. | Half-Metallic Ferromagnetism Induced by Dynamic Electron Correlations in VAs | Physical review letters 96, 197203 (2006). | https://doi.org/10.1103/PhysRevLett.96.197203 |
| Lezaic, M. ; Mavropoulos, P. ; Enkovaara, J. ; Bihlmayer, G. ; Blügel, S. | Thermal Collapse of Spin Polarization in Half-Metallic Ferromagnets | Physical review letters 97, (2006). | https://doi.org/10.1103/PhysRevLett.97.026404 |
| Sato, K. ; Katayama-Yoshida, H. ; Dederichs, P. H. | High Curie Temperature and Nano-Scale Spinodal Decomposition Phase in Dilute Magnetic Semiconductors | Japanese journal of applied physics 44, L948 – L951 (2005). | https://doi.org/10.1143/JJAP.44.L948 |
| Dederichs, P. H. ; Sato, K. ; Katayama-Yoshida, H. | Dilute Magnetic Semiconductors | Phase transitions 78, 851 (2005). | https://doi.org/10.1080/01411590500289229 |
| Dederichs, P. H. ; Galanakis, I. ; Mavropoulos, P. | Half-metallic Alloys: Electronic Structure, Magnetism and Spin Polarisation | Journal of electron microscopy 54, i53 – i56 (2005). | https://doi.org/10.1093/jmicro/54.suppl_1.i53 |
| Popescu, V. ; Ebert, H. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. | Influence of spin-orbit coupling on the transport properties of magnetic tunnel junctions | Physical review B 72, 184427 (2005). | https://doi.org/10.1103/PhysRevB.72.184427 |
| Ebert, H. ; Bornemann, S. ; Minar, B. Q. ; Kosuth, M. ; Sipr, O. ; Dederichs, P. H. ; Zeller, R. ; Cabria, I. | Electronic and Magnetic Properties of Free and Supported Transition Metal Clusters | Phase transitions 78, 71 (2005). | https://doi.org/10.1080/01411590412331316726 |
| Höhler, H. ; Atodiresei, N. ; Schroeder, K. ; Zeller, R. ; Dederichs, P. H. | Vacancy-complexes with oversized impurities in Si and Ge | Physical review B 71, 035212 (2005). | https://doi.org/10.1103/PhysRevB.71.035212 |
| Zeller, R. | Lloyd’s formula in multiple-scattering calculations with finite temperature | Journal of physics Condensed matter 17, 5367 (2005). | https://doi.org/10.1088/0953-8984/17/35/005 |
| Lounis, S. ; Mavropoulos, P. ; Dederichs, P. H. ; Blügel, S. | Noncollinear Korringa-Kohn-Rostoker Green function method: Application to 3d nanostructures on Ni(001) | Physical review B 72, 224437 (2005). | https://doi.org/10.1103/PhysRevB.72.224437 |
| Mavropoulos, P. ; Lezaic, M. ; Blügel, S. | Half-metallic ferromagnets for magnetic tunnel junctions by ab initio calculations | Physical review B 72, 174428 (2005). | https://doi.org/10.1103/PhysRevB.72.174428 |
| Mavropoulos, P. ; Sato, K. ; Zeller, R. ; Dederichs, P. H. ; Popescu, V. ; Ebert, H. | Effect of the spin-orbit interaction on the band gap of half metals | Physical review B 69, 054424 (2004). | https://doi.org/10.1103/PhysRevB.69.054424 |
| Mavropoulos, P. ; Galanakis, I. ; Popescu, V. ; Dederichs, P. H. | Influence of spin-orbit coupling on the band gap of Heusler alloys | Journal of physics Condensed matter 16, s5759 – s5762 (2004). | https://doi.org/10.1088/0953-8984/16/48/043 |
| Hoshino, T. ; Asato, M. ; Zeller, R. ; Dederichs, P. H. | Full-Potential KKR Calculations for Vacancies in Al: Screening Effect and Many-Body Interactions | Physical review B 70, 094118 (2004). | https://doi.org/10.1103/PhysRevB.70.094118 |
| Hoshino, T. ; Asato, M. ; Nakamura, T. ; Zeller, R. ; Dederichs, P. H. | Screened Full-Potential KKR Calculations for Iron Compounds, based on the Generalized-Gradient Approximation | Journal of magnetism and magnetic materials 272-276, e231 – e232 (2004). | https://doi.org/10.1016/j.jmmm.2004.02.009 |
| Hoshino, T. ; Asato, M. ; Nakamura, T. ; Zeller, R. ; Dederichs, P. H. | Screened Full-Potential KKR Calculations for Transition Metals, based on the Generalized-Gradient Approximation | Journal of magnetism and magnetic materials 272-276, e229 – e230 (2004). | https://doi.org/10.1016/j.jmmm.2003.11.165 |
| Sato, K. ; Schweika, W. ; Dederichs, P. H. ; Katayama-Yoshida, H. | Low-temperature ferromagnetism in (Ga, Mn)N: Ab initio calculations | Physical review B 70, 201202-1 – 201202-4 (2004). | https://doi.org/10.1103/PhysRevB.70.201202 |
| Fukushima, T. ; Sato, K. ; Katayama-Yoshida, H. ; Dederichs, P. H. | Theoretical prediction of Curie temperatures in (Zn,Cr)S, (Zn,Cr)Se and (Zn,Cr)Te | Japanese journal of applied physics 43, L1416 – L1418 (2004). | https://doi.org/10.1143/JJAP.43.L1416 |
| Höhler, H. ; Atodiresei, N. ; Schroeder, K. ; Zeller, R. ; Dederichs, P. H. | Cd-vacancy and Cd-interstitial complexes in Si and Ge | Physical review B 70, 155313 (2004). | https://doi.org/10.1103/PhysRevB.70.155313 |
| Sato, K. ; Dederichs, P. H. ; Katayama-Yoshida, H. ; Kudrnovsky, J. | Exchange interactions and Curie temperatures in diluted magnetic semiconductor | Journal of magnetism and magnetic materials 272-276, 1983 – 1984 (2004). | https://doi.org/10.1016/j.jmmm.2003.12.784 |
| Mavropoulos, P. ; Galanakis, I. ; Dederichs, P. H. | Multilayers of zinc-blende half-metals with semiconductors | Journal of physics Condensed matter 16, 4261 – 4272 (2004). | https://doi.org/10.1088/0953-8984/16/24/008 |
| Mavropoulos, P. ; Papanikolaou, N. ; Dederichs, P. H. | Korringa-Kohn-Rostoker Green-function formalism for ballistic transport | Physical review B 69, 125104 (2004). | https://doi.org/10.1103/PhysRevB.69.125104 |
| Popescu, V. ; Ebert, H. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. | Spin-dependent Transport in Ferromagnet/Semiconductor/Ferromagnet Junctions: a Fully Relativistic Approach | Journal of physics Condensed matter 16, s5579 – s5586 (2004). | https://doi.org/10.1088/0953-8984/16/48/014 |
| Wunnicke, O. ; Mavropoulos, P. ; Zeller, R. ; Dederichs, P. H. | Ballistic spin injection from Fe into ZnSe(001), (111), and (110), and into GaAs(001) | Journal of physics Condensed matter 16, 4643 – 4659 (2004). | https://doi.org/10.1088/0953-8984/16/26/001 |
| Zeller, R. | An elementary derivation of Lloyd’s formula valid for full-potential multiple-scattering theory | Journal of physics Condensed matter 16, 6453 – 6468 (2004). | https://doi.org/10.1088/0953-8984/16/36/011 |
| Wunnicke, O. ; Mavropoulos, T. B. ; Dederichs, P. H. | Spin injection in ballistic Fe/ZnSe and Fe/GaAs junctions | Phase transitions 76, 511 (2003). | https://doi.org/10.1080/0141159021000051299 |
| Wunnicke, O. ; Mavropoulos, T. B. ; Dederichs, P. H. | Spin injection : interface resistance in Fe/Semiconductor junctions calculated from first principles | Journal of superconductivity 16, 171 – 173 (2003). | https://doi.org/10.1023/A:1023234128898 |
| Galanakis, I. ; Mavropoulos, T. B. | Zinc-blende compounds of transition elements with N, P, As, Sb, S, Se, and Te as half-metallic systems | Physical review B 67, 104417 (2003). | https://doi.org/10.1103/PhysRevB.67.104417 |
| Sato, K. ; Katayama-Yoshia, H. ; Dederichs, P. H. | Curie Temperatures of III-V Diluted Magnetic Semiconductors Calculated from First-Principles in Mean Field Approximation | Journal of superconductivity 16, 31 – 36 (2003). | https://doi.org/10.1023/A:1023264113451 |
| Sato, K. ; Dederichs, P. H. ; Katayama-Yoshida, H. | Curie temperatures of III-V magnetic semiconductors calculated from first-principles | epl 61, 403 – 408 (2003). | https://doi.org/10.1209/epl/i2003-00191-8 |
| Gambardella, P. ; Rusponi, S. ; Veronese, M. ; Dhesi, S. S. ; Grazioli, C. ; Dallmeyer, R. J. ; Cabria, I. ; Zeller, R. ; Dederichs, P. H. ; Kern, K. ; Carbone, C. ; Brune, H. | Giant Magnetic Anisotropy of Single Cobalt Atoms and Nanoparticles | Science 300, 1130 (2003). | https://doi.org/10.1126/science.1082857 |
| Freyss, M. ; Papanikolaou, N. ; Bellini, V. ; Zeller, R. ; Dederichs, P. H. | Electronic structure of Fe/semiconductor/Fe(001) tunnel junctions | Physical review B 66, 014445 (2002). | https://doi.org/10.1103/PhysRevB.66.014445 |
| Dederichs, P. H. ; Mavropoulos, P. ; Wunnicke, O. ; Papanikolaou, N. ; Bellini, V. ; Zeller, R. ; Drchal, V. ; Kudrnovsky, J. | Importance of complex band structure and resonant states for tunneling | Journal of magnetism and magnetic materials 240, 108 – 113 (2002). | https://doi.org/10.1016/S0304-8853(01)00728-4 |
| Freyss, M. ; Mavropoulos, T. B. ; Papanikolaou, N. ; Bellini, V. ; Zeller, R. ; Dederichs, P. H. | Tunneling transport in ferromagnet/insulator/ferromagnet junctions | Phase transitions 75, (2002). | https://doi.org/10.1080/01411590290023058 |
| Wunnicke, O. ; Mavropoulos, P. ; Zeller, R. ; Dederichs, P. H. ; Grundler, D. | Ballistic spin injection from Fe(001) into ZnSe and GaAs | Physical review B 65, 241306 (2002). | https://doi.org/10.1103/PhysRevB.65.241306 |
| Mavropoulos, P. ; Wunnicke, O. ; Dederichs, P. H. | Ballistic spin injection and detection in Fe/semiconductor/Fe junctions | Physical review B 66, 024416 (2002). | https://doi.org/10.1103/PhysRevB.66.024416 |
| Galanakis, I. ; Papanikolaou, N. ; Dederichs, P. H. | Applicability of the broken bond rule to the surface energy of fcc metals | Surface science 511, 1 (2002). | https://doi.org/10.1016/S0039-6028(02)01547-9 |
| Levy, P. M. ; Wang, K. ; Dederichs, P. H. ; Heide, C. ; Zhang, S. ; Szunyogh, L. | An approximate calculation for transport in magnetic tunnel junctions in the presence of localised states | Philosophical magazine B 82, 763 (2002). | https://doi.org/10.1080/13642810208224366 |
| Galanakis, I. ; Bihlmayer, G. ; Bellini, V. ; Papanikolaou, N. ; Zeller, R. ; Blügel, S. ; Dederichs, P. H. | Broken bond counting rule for the surface energies of noble metals | Europhysics Letters 58, 751 (2002). | https://doi.org/10.1209/epl/i2002-00413-7 |
| Wunnicke, O. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. ; Drchal, V. ; Kudrnovsky, J. | Effects of resonant interface states on tunneling magnetoresistance | Physical review B 65, 064425 (2002). | https://doi.org/10.1103/PhysRevB.65.064425 |
| Cabria, I. ; Nonas, B. ; Zeller, R. ; Dederichs, P. H. | Orbital magnetism of transition metal adatoms and clusters on the Ag and Au(001) surfaces | Physical review B 65, 054414-1 (2002). | https://doi.org/10.1103/PhysRevB.65.054414 |
| Freyss, M. ; Papanikolaou, N. ; Bellini, V. ; Zeller, R. ; Dederichs, P. H. ; Turek, I. | Transport properties and electronic structure of epitaxial tunnel junctions | Journal of magnetism and magnetic materials 240, 117 (2002). | https://doi.org/10.1016/S0304-8853(01)00730-2 |
| Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. | Conceptual improvements of the KKR-method | Journal of physics Condensed matter 14, 2799 (2002). | https://doi.org/10.1088/0953-8984/14/11/304 |
| Turek, I. ; Kudrnovsky, J. ; Drchal, V. ; Weinberger, P. ; Dederichs, P. H. | Ab-initio theory of transport in FeRh-based natural magnetic multilayers | Journal of magnetism and magnetic materials 240, 162 (2002). | https://doi.org/10.1016/S0304-8853(01)00743-0 |
| Turek, I. ; Kudrnovsky, J. ; Drchal, V. ; Weinberger, P. ; Dederichs, P. H. | Theory of electron transport in FeRh-based natural magnetic multilayers | Czechoslovak journal of physics 52, 203 (2002). | https://doi.org/10.1023/A:1014415611741 |
| Kudrnovsky, J. ; Drchal, V. ; Turek, I. ; Dederichs, P. H. ; Weinberger, P. ; Bruno, P. | Ab-initio theory of perpendicular transport in layered magnetic systems | Journal of magnetism and magnetic materials 240, 177 (2002). | https://doi.org/10.1016/S0304-8853(01)00748-X |
| Drchal, V. ; Kudrnovsky, J. ; Bruno, P. ; Dederichs, P. H. ; Turek, I. ; Weinberger, P. | Electron transport in magnetic multilayers : effects of disorder | Physical review B 65, 214414-1 (2002). | https://doi.org/10.1103/PhysRevB.65.214414 |
| Baranov, A. N. ; Stepanyuk, V. S. ; Hergert, W. ; Katsnelson, A. A. ; Settels, A. ; Zeller, R. ; Dederichs, P. H. | Full-potential KKR-calculations for MgO and divalent impurities in MgO | Physical review B 66, 155117 (2002). | https://doi.org/10.1103/PhysRevB.66.155117 |
| Korhonen, T. ; Settels, A. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. | Effect of lattice relaxations on the hyperfine fields of heavy impurities in Fe | Journal of magnetism and magnetic materials 226-230, 1024 – 1026 (2001). | https://doi.org/10.1016/S0304-8853(00)00900-8 |
| Bellini, V. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. | Magnetic 4d monoatomic rows on Ag vicinal surfaces | Physical review B 64, 094403 (2001). | https://doi.org/10.1103/PhysRevB.64.094403 |
| Bellini, V. ; Zeller, R. ; Dederichs, P. H. | Cd hyperfine fields at the bcc Fe/Co interface | Physical review B 64, 144427 (2001). | https://doi.org/10.1103/PhysRevB.64.144427 |
| Nonas, B. ; Cabria, I. ; Zeller, R. ; Dederichs, P. H. ; Huhne, T. ; Ebert, H. | Strongly enhanced orbital moments and anisotropies of adatoms on the Ag(001) surface | Physical review letters 86, 2146 – 2149 (2001). | https://doi.org/10.1103/PhysRevLett.86.2146 |
| Mavropoulos, M. ; Papanikolaou, N. ; Dederichs, P. H. | Complex bandstructure and tunneling through ferromagnet/insulator/ferromagnet junctions | Physical review letters 85, 1088 (2000). | https://doi.org/10.1103/PhysRevLett.85.1088 |
| Stepanyuk, V. S. ; Hergert, W. ; Rennert, P. ; Nonas, B. ; Zeller, R. ; Dederichs, P. H. | Magnetic nanostructures on the fcc Fe/Cu(100) surfaces | Physical review B 61, 2356 (2000). | https://doi.org/10.1103/PhysRevB.61.2356 |
| Stepanyuk, V. S. ; Hergert, W. ; Bazhanov, D. I. ; Kirschner, J. ; Baranov, D. I. ; Dederichs, P. H. ; Katsnelson, A. | Atomic processes and the strain distrubution in the early stages of thin films growth | Applied physics / A 71, 1 – 4 (2000). | |
| Settels, A. ; Schroeder, K. ; Korhonen, T. ; Papanikolaou, N. ; Aretz, M. ; Zeller, R. ; Dederichs, P. H. | In-donor complexes in Si and Ge : structure and electric field gradients | Solid state communications 113, 239 (2000). | |
| Papanikolaou, N. ; Nonas, B. ; Heinze, S. ; Zeller, R. ; Dederichs, P. H. | Scanning tunneling spectra of impurities in the Fe(001) surface | Physical review B 62, 11118 (2000). | https://doi.org/10.1103/PhysRevB.62.11118 |
| Korhonen, T. ; Settels, A. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. | Lattice relaxations and hyperfine fields of heavy impurities in Fe | Physical review B 62, 452 (2000). | |
| Hoshino, T. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. ; Asato, M. ; Asada, T. ; Stefanou, N. | First-principles calculations for vacancy formation energies in Cu and Al : non-local effect beyond the LSDA and lattice distortion | Computational materials science 14, 56 (1999). | |
| Stepanyuk, V. S. ; Hergert, W. ; Rennert, P. ; Wildberger, K. ; Zeller, R. ; Dederichs, P. H. | Imperfect magnetic nanostructures on a Ag(001) surface | Physical review B 59, 1681 (1999). | |
| Wildberger, K. ; Korhonen, T. ; Zeller, R. ; Dederichs, P. H. ; Rampe, A. ; Guentherodt, G. | Interface reflectivity of magnetic layers in Cu : effects of adlayers | Journal of magnetism and magnetic materials 198-199, 570 – 572 (1999). | |
| Hergert, W. ; Stepanyuk, V. S. ; Zeller, R. ; Dederichs, P. H. | Unusual magnetic behavior in imperfect magnetic 4d and 5d clusters on the Ag(001) surface | Journal of magnetism and magnetic materials 198-199, 233 (1999). | |
| Settels, A. ; Korhonen, T. ; Papanikolaou, N. ; Zeller, R. ; Dederichs, P. H. | Ab initio study of acceptor-donor complexes in silicon and germanium | Physical review letters 83, 4369 – 4372 (1999). | |
| Asato, M. ; Settels, A. ; Hoshino, T. ; Asada, T. ; Blügel, S. ; Zeller, R. ; Dederichs, P. H. | Full potential KKR-calculations for metals and semiconductors | Physical review B 60, 5202 (1999). | |
| Drchal, V. ; Kudrnovsky, J. ; Bruno, P. ; Dederichs, P. H. ; Weinberger, P. | The combined effect of temperature and disorder on interlayer exchange coupling in magnetic multilayers | Philosophical magazine London B 78, 571 (1999). | |
| Drchal, V. ; Kudrnovsky, J. ; Bruno, P. ; Turek, I. ; Dederichs, P. H. ; Weinberger, P. | Temperature dependence of the interlayer exchange coupling in magnetic multilayers : an ab-initio approach | Physical review B 60, 9588 (1999). | |
| Smirnova, E. A. ; Abrikosov, I. A. ; Johansson, B. ; Baranov, A. N. ; Stepanyuk, V. S. ; Hergert, W. ; Dederichs, P. H. | Calculated magnetic properties of an Fe(1-x)NiX monolayer on Cu(001) | Physical review B 59, 14417 – 14423 (1999). | |
| Nonas, B. ; Wildberger, K. ; Zeller, R. ; Dederichs, P. H. ; Wille, L. T. ; Dreysse, H. | Direct exchange and interaction of 3d impurities on the (001) surface of iron | Journal of magnetism and magnetic materials 198-199, 548 – 550 (1999). | |