Band versus localized electron magnetism in CaCrO3

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 5, 2008, Pages

  Streltsov, S V ^a,b   Korotin, M A ^a   Anisimov, V I ^a   Khomskii, D I ^c,d  

^a INSTITUTE OF METAL PHYSICS   (Russian Federation)

^b URAL FEDERAL UNIVERSITY   (Russian Federation)

^c UNIVERSITY OF COLOGNE   (Germany)

^d LOUGHBOROUGH UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 50449091513     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.054425     Document Type: Article

References (28)

1. J. Zaanen, G. A. Sawatzky, and J. W. Allen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.418 55, 418 (1985).
2. T. Mizokawa, H. Namatame, A. Fujimori, K. Akeyama, H. Kondoh, H. Kuroda, and N. Kosugi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.67.1638 67, 1638 (1991).
3. D. I. Khomskii, Lith. J. Phys. LFZUE7 1392-1932 37, 65 (1997)
4. see also arXiv:cond-mat/0101164.
5. M. A. Korotin, V. I. Anisimov, D. I. Khomskii, and G. A. Sawatzky, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.4305 80, 4305 (1998).
6. L. Ortega-San-Martin, A. J. Williams, J. Rodgers, J. P. Attfield, G. Heymann, and H. Huppertz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 99.255701 99, 255701 (2007).
7. J.-S. Zhou, C. Q. Jin, Y. W. Long, L. X. Yang, and J. B. Goodenough, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.046408 96, 046408 (2006).
8. B. L. Chamberland, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(67)90088-9 5, 663 (1967). Note that LaTiO3 was considered in that paper also as a metal, while nowadays it is known to be a Mott insulator.
9. A. J. Williams, A. Gillies, J. P. Attfield, G. Heymann, H. Huppertz, M. J. Martinez-Lope, and J. A. Alonso, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.104409 73, 104409 (2006).
10. A. C. Komarek, S. Streltsov, M. Isobe, T. Moeller, M. Hoelzel, A. Senyshyn, D. Trots, M. Fernandezdiaz, T. Hansen, H. Gotou, T. Yagi, Y. Ueda, V. Anisimov, M. Grueninger, D. Khomskii, and M. Braden, arXiv:0804.1071 (unpublished).
11. I. I. Mazin, D. J. Singh, and C. Ambrosch-Draxl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.411 59, 411 (1999).
12. Yu. S. Dedkov, A. S. Vinogradov, M. Fonin, C. König, D. V. Vyalikh, A. B. Preobrajenski, S. A. Krasnikov, E. Yu. Kleimenov, M. A. Nesterov, U. Rüdiger, S. L. Molodtsov, and G. Güntherodt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.060401 72, 060401 (R) (2005)
13. D. J. Huang, H.-T. Jeng, C. F. Chang, G. Y. Guo, J. Chen, W. P. Wu, S. C. Chung, S. G. Shyu, C. C. Wu, H.-J. Lin, and C. T. Chen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.174440 66, 174440 (2002)
14. T. Tsujioka, T. Mizokawa, J. Okamoto, A. Fujimori, M. Nohara, H. Takagi, K. Yamaura, and M. Takano, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56. R15509 56, R15509 (1997).
15. Y. Ren, T. T. M. Palstra, D. I. Khomskii, A. A. Nugroho, A. A. Menovsky, and G. A. Sawatzky, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.6577 62, 6577 (2000).
16. K. I. Kugel' and D. I. Khomskii, Sov. Phys. Usp. SOPUAP 0038-5670 10.1070/PU1982v025n04ABEH004537 25, 231 (1982).
17. O. K. Andersen and O. Jepsen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.53.2571 53, 2571 (1984).
18. U. Barth and L. Hedin, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/5/ 13/012 5, 1629 (1972).
19. S. V. Streltsov, A. S. Mylnikova, A. O. Shorikov, Z. V. Pchelkina, D. I. Khomskii, and V. I. Anisimov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71. 245114 71, 245114 (2005).
20. It was found that the magnetic moments on Cr ions in FM solution are ∼0.2 μB larger than almost equal moments in all AFM calculations. We applied the fix-spin-moment procedure in LSDA calculations to reduce the magnetic moments down to the value obtained for AFM- C type solution.
21. In order to estimate diagonal exchange in the ab plane we additionally calculated AFM- A with FM planes stacked perpendicular to a direction.
22. V. Yu. Pomjakushin, A. M. Balagurov, T. V. Elzhov, D. V. Sheptyakov, P. Fischer, D. I. Khomskii, V. Yu. Yushankhai, A. M. Abakumov, M. G. Rozova, E. V. Antipov, M. V. Lobanov, and S. Billinge, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.184412 66, 184412 (2002).
23. V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.943 44, 943 (1991).
24. A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
25. J. B. Goodenough, Magnetism and the Chemical Bond (Interscience, New York, 1963).
26. M. I. Katsnelson and A. I. Lichtenstein, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.8906 61, 8906 (2000).
27. J. E. Han, M. Jarrell, and D. L. Cox, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.R4199 58, R4199 (1998).
28. A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.68.13 68, 13 (1996).