Charge-orbital ordering in low-temperature structures of magnetite: GGA+U investigations

Physical Review B - Condensed Matter and Materials Physics

Volumn 74, Issue 19, 2006, Pages

  Jeng, Horng Tay ^a,b   Guo, G Y ^c,d   Huang, D J ^b,d  

^a INSTITUTE OF PHYSICS   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^c NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^d NATIONAL SYNCHROTRON RADIATION RESEARCH CENTER   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33751185908     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.74.195115     Document Type: Article

References (48)

1. P. G. Radaelli, D. E. Cox, M. Marezio, and S. W. Cheong, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.3015 55, 3015 (1997).
2. 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).
3. S. Mori, C. H. Chen, and S. W. Cheong, Nature (London) NATUAS 0028-0836 10.1038/33105 392, 473 (1998).
4. S. B. Wilkins, P. D. Spencer, P. D. Hatton, S. P. Collins, M. D. Roper, D. Prabhakaran, and A. T. Boothroyd, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.167205 91, 167205 (2003).
5. J. M. Tranquada, B. J. Sternlieb, J. D. Axe, Y. Nakamura, and S. Uchida, Nature (London) NATUAS 0028-0836 10.1038/375561a0 375, 561 (1995).
6. I. V. Solovyev and K. Terakura, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.2825 83, 2825 (1999).
7. J. van den Brink, G. Khaliullin, and D. Khomskii, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.83.5118 83, 5118 (1999).
8. P. Mahadevan, K. Terakura, and D. D. Sarma, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.066404 87, 066404 (2001).
9. Z. Popović and S. Satpathy, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.197201 88, 197201 (2002).
10. E. J. W. Verwey and P. Haayman, Physica (Amsterdam) PHYSAG 0031-8914 10.1016/S0031-8914(41)80005-6 8, 979 (1941);
11. E. J. W. Verwey and E. L. Heilmann, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1746464 15, 174 (1947);
12. E. J. W. Verwey, P. W. Haayman, and F. C. Romeijn, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1746466 15, 181 (1947).
13. See the review of research on the Verwey transition, J. García and G. Subías, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/16/7/R01 16, R145 (2004);
14. F. Walz, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/ 12/203 14, R285 (2002).
15. P. W. Anderson, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.102.1008 102, 1008 (1956).
16. J. M. Zuo, J. C. H. Spence, and W. Petuskey, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42.8451 42, 8451 (1990).
17. F. J. Berry, S. Skinner, and M. F. Thomas, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/10/1/024 10, 215 (1998).
18. P. Novák, H. Stepankova, J. Englich, J. Kohout, and V. A. M. Brabers, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.1256 61, 1256 (2000).
19. J. P. Wright, J. P. Attfield, and P. G. Radaelli, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.266401 87, 266401 (2001).
20. J. P. Wright, J. P. Attfield, and P. G. Radaelli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.214422 66, 214422 (2002).
21. Z. Szotek, W. M. Temmerman, A. Svane, L. Petit, G. M. Stocks, and H. Winter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.054415 68, 054415 (2003).
22. H. T. Jeng, G. Y. Guo, and D. J. Huang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.156403 93, 156403 (2004).
23. I. Leonov, A. N. Yaresko, V. N. Antonov, M. A. Korotin, and V. I. Anisimov, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.146404 93, 146404 (2004).
24. G. Subías, J. García, J. Blasco, M. Grazia Proietti, H. Renevier, and M. Concepcion Sánchez, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.156408 93, 156408 (2004).
25. G. K. Rozenberg, M. P. Pasternak, W. M. Xu, Y. Amiel, M. Hanfland, M. Amboage, R. D. Taylor, and R. Jeanloz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.045705 96, 045705 (2006).
26. D. J. Huang, H.-J. Lin, J. Okamoto, K. S. Chao, H.-T. Jeng, G. Y. Guo, C.-H. Hsu, C.-M. Huang, D. C. Ling, W. B. Wu, C. S. Yang, and C. T. Chen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.096401 96, 096401 (2006).
27. J. Schlappa, C. Schüßler-Langeheine, C. F. Chang, H. Ott, A. Tanaka, Z. Hu, M. W. Haverkort, F. Schierle, E. Weschke, G. Kaindl, and L. H. Tjeng, cond-mat/0605096 (to be published).
28. H. Uzu and A. Tanaka, J. Phys. Soc. Jpn. JUPSAU 0031-9015 75, 043704 (2006).
29. E. J. Samuelsen and O. Steinsvoll, Phys. Status Solidi B PSSBBD 0370-1972 61, 615 (1974).
30. M. Iizumi, T. F. Koetzle, G. Shirane, S. Chikazumi, M. Matsui, and S. Todo, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 0567-7408 10.1107/S0567740882008176 B38, 2121 (1982).
31. J. García, G. Subías, M. G. Proietti, J. Blasco, H. Renevier, J. L. Hodeau, and Y. Joly, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.054110 63, 054110 (2001).
32. J. P. Shepherd, J. W. Koenitzer, R. Aragón, C. J. Sandberg, and J. M. Honig, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.1107 31, 1107 (1985).
33. J. P. Shepherd, J. W. Koenitzer, R. Aragón, J. Spałek, and J. M. Honig, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.8461 43, 8461 (1991);
34. A. Kozłowski, Z. Kakol, D. Kim, R. Zalecki, and J. M. Honig, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.12093 54, 12093 (1996).
35. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994);
36. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
37. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.13115 48, 13115 (1993);
38. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996);
39. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
40. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
41. V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.943 44, 943 (1991).
42. A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
43. V. I. Anisimov, I. S. Elfimov, N. Hamada, and K. Terakura, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.4387 54, 4387 (1996).
44. See, e. g., H.-T. Jeng and G. Y. Guo, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.094429 65, 094429 (2002), and references therein.
45. S. K. Park, T. Ishikawa, and Y. Tokura, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.3717 58, 3717 (1998).
46. H. Seo, M. Ogata, and H. Fukuyama, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.085107 65, 085107 (2002).
47. S. M. Shapiro, M. Iizumi, and G. Shirane, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.14.200 14, 200 (1976).
48. J.-H. Park, L. H. Tjeng, J. W. Allen, P. Metcalf, and C. T. Chen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.12813 55, 12813 (1997).