Electronic and thermoelectric properties of CuCo O2: Density functional calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 8, 2007, Pages

  Singh, D J ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34547828926     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.085110     Document Type: Article

References (24)

1. I. Terasaki, Y. Sasago, and K. Uchinokura, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.R12685 56, R12685 (1997).
2. K. Fujita, T. Mochida, and K. Nakamura, Jpn. J. Appl. Phys., Part 1 JAPNDE 0021-4922 10.1143/JJAP.40.4644 40, 4644 (2001).
3. H. Liligny, D. Grebille, O. Perez, A. C. Masset, M. Hervieu, C. Michel, and B. Raveau, C.R. Acad. Sci., Ser. IIc: Chim CASCFN 1387-1609 10.1016/S1387-1609(00)88553-9 2, 409 (1999).
4. S. Hebert, S. Lambert, D. Pelloquin, and A. Maignan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.172101 64, 172101 (2001).
5. Y. Miyazaki, M. Onoda, T. Oku, K. Kikuchi, Y. Ishii, Y. Ono, Y. Morii, and T. Kajitani, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.71.491 71, 491 (2002).
6. W. Koshibae, K. Tsutsui, and S. Maekawa, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.6869 62, 6869 (2000).
7. W. Jones and N. H. March, Theoretical Solid State Physics (Dover, New York, 1985).
8. J. M. Ziman, Principles of the Theory of Solids (Cambridge University Press, Cambridge, 1972).
9. D. J. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.13397 61, 13397 (2000).
10. H. J. Xiang and D. J. Singh, report, 2007 (unpublished).
11. D. J. Singh and D. Kasinathan, J. Electron. Mater. JECMA5 0361-5235 10.1007/s11664-007-0154-0 36, 736 (2007).
12. D. J. Singh, Semicondcutors and Semimetals, Thermoelectric Materials Research Vol. 70 (Academic, New York, 2000), p. 125.
13. G. B. Wilson-Short, D. J. Singh, M. Fornari, and M. Suewattana, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.035121 75, 035121 (2007).
14. E. F. Bertaut and C. Delorme, Acad. Sci., Paris, C. R. COREAF 0001-4036 238, 1829 (1954).
15. E. F. Bertaut and J. Dulac, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(61)90220-7 21, 118 (1961).
16. S. Shibasaki, W. Kobayashi, and I. Terasaki, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.235110 74, 235110 (2006).
17. D. J. Singh and L. Nordstrom, Planewaves Pseudopotentials and the LAPW Method, 2nd ed. (Springer, Berlin, 2006).
18. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2K: An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (K. Schwarz, TU Wien, Austria, 2001).
19. D. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.6388 43, 6388 (1991).
20. G. K. H. Madsen and D. J. Singh, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2006.03.007 175, 67 (2006).
21. L. F. Mattheiss, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1863 43, 1863 (1991).
22. D. J. Singh, R. C. Rai, J. L. Musfeldt, S. Auluck, N. Singh, P. Khalifah, S. McClure, and D. G. Mandrus, Chem. Mater. CMATEX 0897-4756 10.1021/cm060160v 18, 2696 (2006).
23. A. Kokalj, J. Mol. Graphics Modell. JMGMFI 1093-3263 10.1016/S1093- 3263(99)00028-5 17, 176 (1999);
24. code from http://www.xcrysden.org