On the metallic conductivity of the delafossites PdCoO2 and PtCoO2

Chemistry of Materials

Volumn 20, Issue 6, 2008, Pages 2370-2373

  Eyert, Volker ^a,b   Frésard, Raymond ^a   Maignan, Antoine ^a  

^a LABORATOIRE CRISMAT   (France)

^b UNIVERSITY OF AUGSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; PLATINUM COMPOUNDS;

DELAFOSSITES; GENERALIZED GRADIENT APPROXIMATION; METALLIC CONDUCTIVITY; SPHERICAL WAVE METHOD;

PALLADIUM COMPOUNDS;

EID: 41849111706     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm703404e     Document Type: Article

References (41)

1. Imada, M.; Fujimori, A.; lokura, Y. Rev. Mod. Phys. 1998, 70, 1039.
2. von Helmolt, R.; Wecker, J.; Holzapfel, B.; Schultz, L.; Samwer, K. Phys. Rev. Lett. 1993, 71, 2331.
3. Tomioka, Y.; Asamitsu, A.; Moritomo, Y.; Kuwahara, H.: Tokura, Y. Phys. Rev. Lett. 1995, 74, 5108.
4. Raveau, B.; Maignan, A.; Caignaert, V. J. Solid State Chem. 1995, 117, 424.
5. Maignan, A.; Simon, C.; Caignaert, V.; Raveau, B. Solid State Commun. 1995, 96, 623.
6. Eyert, V.; Laschinger, C.; Kopp, T.; Frésard, R. Chem. Phys. Lett. 2004, 385, 249.
7. Frésard, R.; Laschinger, C.; Kopp, T.; Eyert, V. Phys. Rev. B 2004, 69, 140405(R).
8. Wu, H.; Haverkort, M. W.; Hu, Z.; Khomskii, D. I.; Tjeng, L. H. Phys. Rev. Lett. 2005, 95, 186401.
9. Terasaki, I.; Sasago, Y.; Uchinokura, K. Phys. Rev. B 1997, 56, R12685.
10. Masset, A. C.; Michel, C.; Maignan, A.; Hervieu, M.; Toulemonde, O.; Studer, F.; Raveau, B. Phys. Rev. B 2000, 62, 166.
11. (a) Shannon, R. D.; Rogers, D. B.; Prewitt, C. T. Inorg. Chem. 1971, 10, 713.
12. (b) Prewitt, C. T.; Shannon, R. D.; Rogers, D. B. Inorg. Chem. 1971, 10, 719.
13. (c) Rogers, D. B.; Shannon, R. D.; Prewitt, C. T.; Gillson, J. L. Inorg. Chem. 1971, 10, 723.
14. Tanaka, M.; Hasegawa, M.; Higuchi, T.; Tsukamoto, T.; Tezuka, Y.; Shin, S.; Takei, H. Physica B 1998, 245, 157.
15. Marquardt, M. A.; Ashmore, N. A.; Cann, D. P. Thin Solid Films 2006, 496, 146.
16. Kawazoe, H.; Yasukawa, M.; Hyodo, H.; Kurita, M.; Yanagi, H.; Hosono, H. Nature 1997, 389, 939.
17. Hasegawa, M.; Tanaka, M.; Yagi, T.; Takei, H.; Inoue, A. Solid State Commun. 2003, 128, 303.
18. Hasegawa, M.; Inagawa, I.; Tanaka, M.; Shirotani, I.; Takei, H. Solid State Commun. 2002, 121, 203.
19. Higuchi, T.; Tsukamoto, T.; Tanaka, M.; Ishii, H.; Kanai, K.; Tezuka, Y.; Shin, S.; Takei, H. J. Electr. Spectr. Rel. Phen. 1998, 92, 71.
20. Higuchi, T.; Hasegawa, M.; Tanaka, M.; Takei, H.; Shin, S.; Tsukamoto, T. Jpn. J. Appl. Phys. 2004, 43, 699.
21. Mattheiss, L. F. Phys. Rev. B 1993, 48, 18300.
22. Galakhov, V. R.; Poteryaev, A. I.; Kurmaev, E. Z.; Anisimov, V. I.; Bartkowski, S.; Neumann, M.; Lu, Z. W.; Klein, B. M.; Zhao, T.-R. Phys. Rev. B 1997, 56, 4584.
23. Seshadri, R.; Felser, C.; Thieme, K.; Tremel, W. Chem. Mater. 1998, 10, 2189.
24. Ingram, B. J.; Mason, T. O.; Asahi, R.; Park, K. T.; Freeman, A. J. Phys. Rev. B 2001, 64, 155114.
25. Nie, X.; Wei, S.-H.; Zhang, S. B. Phys. Rev. Lett. 2002, 88, 066405.
26. Kandpal, H. C.; Seshadri, R. Solid State Sci. 2002, 4, 1045.
27. Okabe, H.; Matoba, M.; Kyomen, T.; Itoh, M. J. Appl. Phys. 2003, 93, 7258.
28. Ong, K. P.; Bai, K.; Blaha, P.; Wu, P. Chem. Mater. 2007, 19, 634.
29. Mazin, I. I. Phys. Rev. B 2007, 75, 094407.
30. Singh, D. J. Phys. Rev. B 2007, 76, 085110.
31. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
32. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
33. Williams, A. R.; Kübier, J.; Gelatt, C. D., Jr. Phys. Rev. B 1979, 19, 6094.
34. Eyert, V. Int. J. Quantum Chem. 2000, 77, 1007.
35. Eyert, V. The Augmented Spherical Wave Method - A Comprehensive Treatment; Lecture Notes in Physics; Springer: Berlin, 2007; Vol. 719.
36. Eyert, V.; Hock, K.-H. Phys. Rev. B 1998, 57, 12727.
37. Eyert, V. J. Comp. Phys. 1996, 124, 271.
38. Blöchl, P. E.; Jepsen, O.; Andersen, O. K. Phys. Rev. B 1994, 49, 16223.
39. Eyert, V. J. Comput. Chem. 2008, in press.
40. Methfessel, M. S. Phys. Rev. B 1988, 38, 1537.
41. Kokalj, A. Comput. Mater. Sci. 2003, 28, 155.