KCr F3: Electronic structure and magnetic and orbital ordering from first principles

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 7, 2008, Pages

  Giovannetti, Gianluca ^a,b   Margadonna, Serena ^c   Van Den Brink, Jeroen ^a,d  

^a UNIVERSITEIT LEIDEN   (Netherlands)

^b UNIVERSITY OF TWENTE   (Netherlands)

^c UNIVERSITY OF EDINBURGH   (United Kingdom)

^d RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 40949115580     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.075113     Document Type: Article

References (44)

1. S. Jin, T. H. Tiefel, M. McCormack, R. A. Fastnacht, R. Ramesh, and L. H. Chen, Science SCIEAS 0036-8075 10.1126/science.264.5157.413 264, 413 (1994).
2. M. Imada, A. Fujimori, and Y. Tokura, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.70.1039 70, 1039 (1998);
3. Y. Tokura and N. Nagaosa, Science SCIEAS 0036-8075 10.1126/science.288. 5465.462 288, 462 (2000).
4. A. J. Millis, P. B. Littlewood, and B. I. Shraiman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.5144 74, 5144 (1995).
5. Jooss, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.0702748104 104, 13597 (2007).
6. C. Zener, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.82.403 82, 403 (1951);
7. P. W. Anderson and H. Hasegawa, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.100.675 100, 675 (1955);
8. P. G. deGennes, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.118.141 118, 141 (1960).
9. For a review, see J. van den Brink, G. Khaliullin, and D. Khomskii, in Colossal Magnetoresistive Manganites, edited by, T. Chatterji, (Kluwer Academic, Dordrecht, 2004).
10. J. van den Brink and D. Khomskii, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.1016 82, 1016 (1999);
11. J. van den Brink, G. Khaliullin, and D. Khomskii, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.5118 83, 5118 (1999);
12. J. van den Brink, G. Khaliullin, and D. Khomskii, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5843 86, 5843 (2001);
13. J. van den Brink and D. Khomskii, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.140416 63, 140416 (R) (2001).
14. S. Margadonna and G. Karotsis, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja0669272 128, 16436 (2006).
15. S. Margadonna and G. Karotsis, J. Mater. Chem. JMACEP 0959-9428 10.1039/b700487g 17, 2013 (2007).
16. J. B. Goodenough, Magnetism and Chemical Bond (Interscience, New York, 1963).
17. I. Solovyev, N. Hamada, and K. Terakura, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.4825 76, 4825 (1996).
18. S. Satpathy, Z. S. Popovic, and F. R. Vukajlovic, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.960 76, 960 (1996).
19. R. Tyer, W. M. Temmerman, Z. Szotek, G. Banach, A. Svane, L. Petit, and G. A. Gehring, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2003-10117-0 65, 519 (2003).
20. Y. Murakami, H. Kawada, H. Kawata, M. Tanaka, T. Arima, Y. Moritomo, and Y. Tokura, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.1932 80, 1932 (1998);
21. Y. Murakami, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.81.582 81, 582 (1998).
22. P. Benedetti, J. van den Brink, E. Pavarini, A. Vigliante, and P. Wochner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.060408 63, 060408 (R) (2001).
23. A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
24. R. Caciuffo, L. Paolasini, A. Sollier, P. Ghigna, E. Pavarini, J. van den Brink, and M. Altarelli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65. 174425 65, 174425 (2002).
25. Z. Nussinov, M. Biskup, L. Chayes, and J. van den Brink, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2004-10134-5 67, 990 (2004).
26. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964);
27. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
28. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
29. G. Kresse and J. Furthmuller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996);
30. G. Kresse and J. Furthmuller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
31. D. Khomskii and J. van den Brink, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.3329 85, 3329 (2000).
32. Cococcioni and S. de Gironcoli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.035105 71, 035105 (2005).
33. W. E. Pickett, S. C. Erwin, and E. C. Ethridge, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.1201 58, 1201 (1998).
34. M. S. Hybertsen, M. Schluter, and N. E. Christensen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.9028 39, 9028 (1989).
35. K. I. Kugel and D. I. Khomskii, Sov. Phys. Usp. SOPUAP 0038-5670 25, 231 (1982).
36. G. Khaliullin and V. Oudovenko, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.R14243 56, R14243 (1997).
37. J. van den Brink, P. Horsch, F. Mack, and A. M. Oles, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.6795 59, 6795 (1999).
38. J. van den Brink, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/6/1/201 6, 201 (2004).
39. V. Skumryev, F. Ott, J. M. D. Coey, A. Anane, J.-P. Renard, L. Pinsard-Gaudart, and A. Revcolevschi, Eur. Phys. J. B EPJBFY 1434-6028 10.1007/s100510050950 11, 401 (1999).
40. E. Saitoh, S. Okamoto, K. T. Takahashi, K. Tobe, K. Yamamoto, T. Kimura, S. Ishihara, S. Maekawa, and Y. Tokura, Nature (London) NATUAS 0028-0836 10.1038/35065547 410, 180 (2001).
41. V. Perebeinos and P. B. Allen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.5178 85, 5178 (2000).
42. J. van den Brink, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 87.217202 87, 217202 (2001).
43. J. van den Brink, P. Horsch, and A. M. Oles, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.5174 85, 5174 (2000).
44. J. van den Brink, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1648 5, 427 (2006).