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Papers where JuKKR codes are used
| Authors | Title | Journal reference | doi |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |
| 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). | https://doi.org/ |