Crystalline and magnetic anisotropy of the 3d-transition metal monoxides MnO, FeO, CoO, and NiO

Physical Review B - Condensed Matter and Materials Physics

Volumn 86, Issue 11, 2012, Pages

  Schron A ^a,b   Rodl C ^a,b,c   Bechstedt, F ^a,b  

^a FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^b European Theoretical Spectroscopy Facility ETSF   (United States)

^c LABORATOIRE DES SOLIDES IRRADIÉS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84867025915     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.86.115134     Document Type: Article

References (67)

1. W. L. Roth, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.110.1333 110, 1333 (1958).
2. P. W. Anderson, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.79.350 79, 350 (1950).
3. P. W. Anderson, Solid State Phys. 0081-1947 10.1016/S0081-1947(08)60260-X 14, 99 (1963).
4. G. A. Slack, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1735895 31, 1571 (1960).
5. A. K. Cheetham and D. A. O. Hope, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.27.6964 27, 6964 (1983).
6. H. Shaked, J. Faber, and R. L. Hitterman, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.38.11901 38, 11901 (1988).
7. D. Herrmann-Ronzaud, P. Burlet, and J. Rossat-Mignod, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/11/10/023 11, 2123 (1978).
8. W. Jauch, M. Reehuis, H. J. Bleif, F. Kubanek, and P. Pattison, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.052102 64, 052102 (2001).
9. H. Fjellvåg, B. C. Hauback, T. Vogt, and S. Stølen, Am. Mineral. 87, 347 (2002).
10. H. Fjellvåg, F. Grønvold, S. Stølen, and B. Hauback, J. Solid State Chem. JSSCBI 0022-4596 10.1006/jssc.1996.0206 124, 52 (1996). (Pubitemid 126320349)
11. W. L. Roth, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.111.772 111, 772 (1958).
12. J. Baruchel, M. Schlenker, K. Kurosawa, and S. Saito, Philos. Mag. B 1364-2812 10.1080/01418638108222351 43, 853 (1981).
13. E. Ressouche, N. Kernavanois, L.-P. Regnault, and J.-Y. Henry, Physica B PHYBE3 0921-4526 10.1016/j.physb.2006.05.082 385-386, 394 (2006). (Pubitemid 44809704)
14. A. L. Goodwin, M. G. Tucker, M. T. Dove, and D. A. Keen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.047209 96, 047209 (2006). (Pubitemid 43270921)
15. I. V. Solovyev, A. I. Liechtenstein, and K. Terakura, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.5758 80, 5758 (1998).
16. A. Boussendel, N. Baadji, A. Haroun, H. Dreyssé, and M. Alouani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.184432 81, 184432 (2010).
17. J. I. Kaplan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1739881 22, 1709 (1954).
18. F. Keffer and W. O'Sullivan, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.108.637 108, 637 (1957).
19. K. Terakura, T. Oguchi, A. R. Williams, and J. Kübler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.30.4734 30, 4734 (1984).
20. J. E. Pask, D. J. Singh, I. I. Mazin, C. S. Hellberg, and J. Kortus, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.024403 64, 024403 (2001).
21. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964).
22. P. Dufek, P. Blaha, V. Sliwko, and K. Schwarz, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.49.10170 49, 10170 (1994).
23. F. Tran, P. Blaha, K. Schwarz, and P. Novák, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.155108 74, 155108 (2006). (Pubitemid 44564643)
24. V. I. Anisimov, I. V. Solovyev, M. A. Korotin, M. T. Czyzyk, and G. A. Sawatzky, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.16929 48, 16929 (1993).
25. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.1505 57, 1505 (1998).
26. G. Fischer, M. Dane, A. Ernst, P. Bruno, M. Lueders, Z. Szotek, W. Temmerman, and W. Hergert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80. 014408 80, 014408 (2009).
27. C. Franchini, V. Bayer, R. Podloucky, J. Paier, and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.045132 72, 045132 (2005). (Pubitemid 41526561)
28. C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.235114 79, 235114 (2009).
29. A. Schrön, C. Rödl, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.165109 82, 165109 (2010).
30. Z. Fang, I. V. Solovyev, H. Sawada, and K. Terakura, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.762 59, 762 (1999).
31. M. Cococcioni and S. de Gironcoli, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.035105 71, 035105 (2005). (Pubitemid 40396386)
32. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
33. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
34. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
35. P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
36. F. D. Murnaghan, Proc. Natl. Acad. Sci. USA PNASA6 0027-8424 10.1073/pnas.30.9.244 30, 244 (1944).
37. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
38. D. D. Koelling and B. N. Harmon, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/10/16/019 10, 3107 (1977).
39. D. Hobbs, G. Kresse, and J. Hafner, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.62.11556 62, 11556 (2000). (Pubitemid 32373616)
40. H. J. F. Jansen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.4699 59, 4699 (1999).
41. W. Zhang, K. Koepernik, M. Richter, and H. Eschrig, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.155123 79, 155123 (2009).
42. O. Bengone, M. Alouani, P. Blöchl, and J. Hugel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.62.16392 62, 16392 (2000). (Pubitemid 32372733)
43. Y. Sumino, M. Kumazawa, O. Nishizawa, and W. Pluschkell, J. Phys. Earth JPHEAF 0022-3743 10.4294/jpe1952.28.475 28, 475 (1980).
44. J. Zhang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.507 84, 507 (2000).
45. J. Berger, F. Thomas, J. Berthon, and A. Revcolevschi, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(83)90276-4 48, 231 (1983). (Pubitemid 14550273)
46. P. D. Battle and A. K. Cheetham, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/12/2/021 12, 337 (1979).
47. Y. Noguchi, M. Uchino, H. Hikosaka, T. Atou, K. Kusaba, K. Fukuoka, T. Mashimo, and Y. Syono, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/S0022-3697(98)00296-0 60, 509 (1999).
48. S. L. Webb, I. Jackson, and J. D. F. Gerald, Phys. Earth Planet. In. PEPIAM 0031-9201 10.1016/0031-9201(88)90061-1 52, 117 (1988).
49. R. E. Pacalo and E. K. Graham, Phys. Chem. Miner. PCMIDU 0342-1791 10.1007/BF00199046 18, 69 (1991).
50. J. Zhang, Phys. Chem. Miner. PCMIDU 0342-1791 10.1007/s002690050229 26, 644 (1999). (Pubitemid 30031470)
51. E. Huang, High Press. Res. HPRSEL 0895-7959 10.1080/08957959508202583 13, 307 (1995).
52. T. Eto, S. Endo, M. Imai, Y. Katayama, and T. Kikegawa, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.61.14984 61, 14984 (2000).
53. M. D. Towler, N. L. Allan, N. M. Harrison, V. R. Saunders, W. C. Mackrodt, and E. Aprà, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 5041 50, 5041 (1994).
54. S. Greenwald and J. S. Smart, Nature (London) NATUAS 0028-0836 10.1038/166523a0 166, 523 (1950).
55. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
56. J. P. Perdew, in Electronic Structure of Solids '91, edited by, P. Ziesche, and, H. Eschrig, (Akademie, Berlin, 1991), p. 11.
57. H. A. Jahn and E. Teller, Proc. R. Soc. London Ser. A 1364-5021 10.1098/rspa.1937.0142 161, 220 (1937).
58. H. A. Jahn, Proc. R. Soc. London Ser. A 1364-5021 10.1098/rspa.1938.0008 164, 117 (1938).
59. C. S. Yoo, B. Maddox, J.-H. P. Klepeis, V. Iota, W. Evans, A. McMahan, M. Y. Hu, P. Chow, M. Somayazulu, D. Häusermann, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.115502 94, 115502 (2005). (Pubitemid 40607124)
60. R. E. Cohen, I. I. Mazin, and D. G. Isaak, Science SCIEAS 0036-8075 10.1126/science.275.5300.654 275, 654 (1997). (Pubitemid 27061330)
61. J. Kuneš, A. V. Lukoyanov, V. I. Anisimov, R. T. Scalettar, and W. E. Pickett, Nat. Mater. 1476-1122 10.1038/nmat2115 7, 198 (2008). (Pubitemid 351311294)
62. R. Skomski, Simple Models of Magnetism (Oxford University Press, Oxford, 2008).
63. G. Breit, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.34.553 34, 553 (1929).
64. H. A. Bethe and E. S. Salpeter, Quantum Mechanics of One- and Two-Electron Atoms (Academic, New York, 1957).
65. J. R. Singer, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.104.929 104, 929 (1956).
66. W. L. Roth and G. A. Slack, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1984744 31, S352 (1960).
67. L. W. McKeehan, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.43.913 43, 913 (1933).