Magnetic and electronic properties of CaCu3Cr4O 12 and CaCu3Cr2Sb2O12 by first-principles density functional calculation

Inorganic Chemistry

Volumn 46, Issue 23, 2007, Pages 9575-9583

  Xiang, H P ^a,b   Liu, X J ^a   Zhao, E J ^a,b   Meng, J ^a   Wu, Z J ^a  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36348980394     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic070213q     Document Type: Article

References (29)

1. Zeng, Z.; Greenblatt, M.; Subramanian, M. A.; Croft, M. Phys. Rev. Lett. 1999, 82, 3164.
2. Subramanian, M.; Li, D.; Reisner, B.; Sleight, A. J. Solid State Chem. 2000, 151, 323.
3. Ramirez, A. P.; Subramanian, M. A.; Gardel, M.; Blumberg, G.; Li, D.; Vogt, T.; Shapiro, S. M. Solid State Commun. 2000, 115, 217.
4. Homes, C.; Vogt, T.; Shapiro, S.; Wakimoto, S.; Ramirez, A. Science 2001, 293, 673.
5. Subramanian, M. A.; Sleight, A. W. Solid State Sci. 2002, 4, 347.
6. Byeon, S.-H.; Lufaso, M. W.; Parise, J. B.; Woodward, P. M.; Hansen, T. Chem. Mater. 2003, 15, 3798.
7. Byeon, S.-H.; Lee, S.-S.; Parise, J. B.; Woodward, P. M.; Hur, N. H. Chem. Mater. 2004, 16, 3697.
8. Byeon, S.-H.; Lee, S.-S.; Parise, J. B.; Woodward, P. M.; Hur, N. H. Chem. Mater. 2005, 17, 3552.
9. Byeon, S.-H.; Lee, S.-S.; Parise, J. B.; Woodward, P. M. Chem. Mater. 2006, 18, 3873.
10. Bonnenberg, D.; Boyd, E. L.; Calhoun, B. A.; Folen, V. J.; Grpäer, W.; Greifer, A. P.; Kriessman, C. J.; Lefever, R. A.; McGuire, T. R.; Paulus, M.; Stauss, G. H.; Vautier, R.; Wijin, H. P. J. In Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology; Hellwege, K. H., Ed.; 1 New Serien, Group III; Springer-Verlag: Berlin, 1970; Vol. 4b.
11. Subramanian, M. A.; Marshall, W. J.; Calvarese, T. G.; Sleight, A. W. J. Phys. Chem. Solids 2003, 64, 1569.
12. Matar, S. F.; Subramanian, M. A. Mater. Lett. 2004, 58, 746.
13. McGuire, T. R.; Howard, L. N.; Smart, J. D. Ceram. Age 1952, 60, 22.
14. Weht, R.; Pickett, W. E. Phys. Rev. B 2001, 65, 014415.
15. Liu, X. J.; Xiang, H. P.; Cai, P.; Hao, X. F.; Wu, Z. J.; Meng, J. J. Mater. Chem. 2006, 16, 4243.
16. Howard, C. J.; Kennedy, B. J.; Woodward, P. M. Acta Crystallogr. B 2003, 59, 463.
17. Glazer, A. M. Acta Crystallogr. B 1972, 28, 3384.
18. Woodward, P. M. J. Appl. Crystallogr. 1997, 30, 206.
19. Aleksandrov, K. S.; Misjul, S. V. Sov. Phys. Crystallogr. 1981, 26, 612.
20. Segall, M. D.; Lindan, P. L. D.; Proben, M. J.; Pickard, C. J.; Hasnip, P. J.; Clark, S. J.; Payne, M. C. J. Phys. Condensed Matter 2002, 14, 2717.
21. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
22. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
23. Schwarz, K.; Blaha, P. Comput. Mater. Sci. 2003, 28, 259.
24. Blaha, P.; Schwarz, K.; Madsen, G. K. H.; Kvasnicka, D.; Luitz, J. Computer code WIEN2K, An augmented plane waves+local orbitals program for calculating crystal properties, revised edition 2001; Vienna University of Technology: Vienna, Austria, 2003.
25. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953.
26. Lacroic, C. J. Phys. C. 1980, 13, 5125.
27. Collombm, A.; Samaras, D.; Bochu, B.; Joubert, J. C. Phys. Status Solidi A 1977, 41, 459.
28. Goodenough, J. Magnetism and the Chemical Bond; Wiley-Interscience: New York, 1996.
29. Xiang, H. P.; Liu, X. J.; Zhao, E. J.; Meng, J.; Wu, Z. J.; Appl. Phys. Lett. 2007, 91, 011903.