Long-range antiferromagnetic interactions in ZnFe2O4 and CdFe2O4: Density functional theory calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 78, Issue 13, 2008, Pages

  Cheng, Ching ^a  

^a NATIONAL CHENG KUNG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 54449084927     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.132403     Document Type: Article

References (38)

1. J. N. Reimers, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.7287 45, 7287 (1992)
2. R. Moessner and J. T. Chalker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.2929 80, 2929 (1998).
3. A. J. Garcia-Adeva and D. L. Huber, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.184418 65, 184418 (2002).
4. J. N. Reimers, A. J. Berlinsky, and A.-C. Shi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.865 43, 865 (1991).
5. P. W. Anderson, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.102.1008 102, 1008 (1956).
6. J. Ostorero, A. Mauger, M. Guillot, A. Derory, M. Escorne, and A. Marchand, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.391 40, 391 (1989).
7. K. Kamazawa, S. Park, S.-H. Lee, T. J. Sato, and Y. Tsunoda, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.024418 70, 024418 (2004).
8. K. Kamazawa, Y. Tsunoda, K. Odaka, and K. Kohn, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/S0022-3697(99)00099-2 60, 1261 (1999)
9. Y. Yamada, K. Kamazawa, and Y. Tsunoda, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.064401 66, 064401 (2002)
10. K. Kamazawa, Y. Tsunoda, H. Kadowaki, and K. Kohn, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.024412 68, 024412 (2003).
11. J. H. Shim, S. Lee, J. H. Park, S.-J. Han, Y. H. Jeong, and Y. W. Cho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.064404 73, 064404 (2006)
12. C. N. Chinnasamy, A. Narayanasamy, N. Ponpandian, K. Chattopadhyay, H. Guerault, and J.-M. Greneche, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/12/35/314 12, 7795 (2000)
13. C. N. Chinnasamy, A. Narayanasamy, N. Ponpandian, R. Justin Joseyphus, K. Chattopadhyay, K. Shinoda, B. Jeyadevan, K. Tohji, and K. Nakatsuka, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1377297 90, 527 (2001).
14. Z. Szotek, W. M. Temmerman, D. Kodderitzsch, A. Svane, L. Petit, and H. Winter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.174431 74, 174431 (2006).
15. A. N. Yaresko, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.77.115106 77, 115106 (2008).
16. D. J. Singh, M. Gupta, and R. Gupta, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.205102 63, 205102 (2001)
17. D. J. Singh, M. Gupta, and R. Gupta, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1453929 91, 7370 (2002).
18. D. Morgan, B. Wang, G. Ceder, and A. van de Walle, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.134404 67, 134404 (2003).
19. O. Le Bacq, A. Pasturel, C. Lacroix, and M. D. Nunez-Regueiro, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.014432 71, 014432 (2005).
20. P. Hohenberg and W. Kohn, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.136.B864 136, B864 (1964).
21. U. von Barth and L. Hedin, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/5/13/012 5, 1629 (1972)
22. A. K. Rajagopal and J. Callaway, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.7.1912 7, 1912 (1973).
23. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
24. V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.943 44, 943 (1991)
25. A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
26. 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).
27. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
28. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
29. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
30. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, 558 (1993)
31. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.14251 49, 14251 (1994)
32. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996)
33. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
34. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
35. In ZFO the ferromagnetically polarized configurations of ia1, ia2, and ia3 with initially identical local moments for the A-site and B-site Fe ions are relaxed to the configurations having different moments and hence, lead to the smaller lattice constants. However the corresponding configurations of CFO do not prefer this relaxation process, the unequal initial moments of the A-site and B-site Fe ions are relaxed to be about identical.
36. W. Schiessl, W. Potzel, H. Karzel, M. Steiner, G. M. Kalvius, A. Martin, M. K. Krause, I. Halevy, J. Gal, W. Schafer, G. Will, M. Hillberg, and R. Wappling, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.9143 53, 9143 (1996).
37. R. Grau-Crespo, F. Cora, A. A. Sokol, N. H. de Leeuw, and C. R. A. Catlow, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.035116 73, 035116 (2006).
38. I. I. Mazin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76.140406 76, 140406 (R) (2007).