Comparison of the electronic structures of hydrated and unhydrated Na xCoO2: The effect of H2O

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 1, 2004, Pages

  Johannes, M D ^a   Singh, D J ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COBALT; SODIUM; WATER;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRON; HYDRATION; SUPERCONDUCTOR;

EID: 42749106434     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.014507     Document Type: Article

References (40)

1. B. G. Levi, Phys. Today 56, 15 (2003).
2. D. Carlier, A. Van der Ven, C. Delmas, and G. Ceder, Chem. Mater. 15, 2651 (2003).
3. Von M. Jansen and R. Hoppe, Z. Anorg. Allg. Chem. 408, 104 (1974).
4. I. Terasaki, Y. Sasago, and K. Uchinokura, Phys. Rev. B 56, 12685 (1997).
5. S. Hebert, S. Lambert, D. Pelloquin, and A. Maignan, Phys. Rev. B 64, 172101 (2001).
6. Y. Miyazaki, M. Onoda, T. Oku, M. Kikuchi, Y. Ishii, Y. Ono, Y. Morii, and T. Kajitani, J. Phys. Soc. Jpn. 71, 491 (2002).
7. T. Yamamoto, K. Uchinokura, and I. Tsukada, Phys. Rev. B 65, 184434 (2002).
8. M. Hervieu, A. Maignan, C. Michel, V. Hardy, N. Creon, and B. Raveau, Phys. Rev. B 67, 045112 (2003).
9. D. J. Singh, Phys. Rev. B 61, 13397 (2000).
10. R. Asahi, J. Sugiyama, and T. Tani, Phys. Rev. B 66, 155103 (2002).
11. D. J. Singh, Phys. Rev. B 68, 020503 (2003).
12. K.-W. Lee, J. Kunes, and W. E. Pickett, cond-mat/0403018 (2004).
13. G. Baskaran, Phys. Rev. Lett. 91, 097003 (2003).
14. W. Koshibae and S. Maekawa, Phys. Rev. Lett. 87, 236603 (2001).
15. W. Koshibae and S. Maekawa, Physica B 329, 896 (2003).
16. Y. Wang, N. S. Rogado, R. J. Cava, and N. P. Ong, Nature (London) 423, 425 (2003).
17. A. Maignan, S. Hebert, M. Hervieu, C. Michel, D. Pelloquin, and D. Khomskii, J. Phys.: Condens. Matter 15, 2711 (2003).
18. I. Tsukada, T. Yamamoto, M. Takagi, T. Tsubone, S. Konno, and K. Uchinokura, J. Phys. Soc. Jpn. 70, 834 (2001).
19. K. Takada, H. Sakurai, E. Takayama-Muromachi, F. Izumi, R. A. Dilanian, and R. Sasaki, Nature (London) 422, 53 (2003).
20. R. E. Schaak, T. Klimczuk, M. L. Foo, and R. J. Cava, Nature (London) 424, 527 (2003).
21. H. Sakurai, K. Takada, F. Izumi, D. A. Dilanian, R. Sasaki, and E. Takayama-Muromachi, Physica C (to be published).
22. G. Baskaran, cond-mat/0306569 (2003).
23. B. Lorenz, J. Cmaidalka, R. L. Meng, and C. W. Chu, Phys. Rev. B 68, 132504 (2003).
24. M. L. Foo, R. E. Schaak, V. L. Miller, T. Klimczuk, N. S. Rogado, Y. Wang, G. C. Lau, C. Craley, H. W. Zandbergen, N. P. Ong, and R. J. Cava, Solid State Commun. 127, 33 (2003).
25. C. Honerkamp, Phys. Rev. B 68, 104510 (2003).
26. M. Ogata, J. Phys. Soc. Jpn. 72, 1839 (2003).
27. S. Park, Y. Lee, A. Moodenbaugh, and T. Vogt, Phys. Rev. B 68, 180505 (2003).
28. Experimentally the compound is a paramagnetic metal down to the lowest T. Nonspin-polarized LDA calculations are a static approximation to this, i.e., not including fluctuations in soft spin degrees of freedom, if present.
29. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WEIN2k (2002), an Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Techn. Universitat, Wien, Austria), ISBN 3-9501031-1-2.
30. D. J. Singh, Planewaves, Pseudopotentials, and the LAPW Method (Kluwer Academic, Dordrecht, The Netherlands, 1993).
31. M. Z. Hasan, Y.-D. Chuang, A. Kuprin, Y. Kong, D. Qian, Y. W. Li, B. Mesler, Z. Hussain, A. V. Fedorov, R. Kimmerling et al., Phys. Rev. Lett. (to be published).
32. H.-B. Yang, S.-C. Wang, A. K. P. Sekharan, H. Matsui, S. Souma, T. Sato, T. Takahashi, T. Takeuchi, J. C. Campuzano, R. Jin B. C. Sales, D. Mandrus, Z. Wang, and H. Ding, Phys. Rev. Lett. 92, 246403 (2004).
33. J. D. Jorgensen, M. Avdeev, D. G. Hinks, J. C. Burley, and S. Short, Phys. Rev. B 68, 214517 (2003).
34. R. Jin, B. C. Sales, P. Khalifah, and D. Mandrus, Phys. Rev. Lett. 91, 217001 (2003).
35. J. W. Lynn, Q. Huang, C. M. Brown, V. L. Miller, M. L. Foo, R. E. Schaak, C. Y. Jones, E. A. Mackey, and R. J. Cava, Phys. Rev. B 68, 214516 (2003).
36. T. Egami, private communication.
37. M. L. Foo, Y. Wang, S. Watauchi, H. W. Zandbergen, T. He, R. J. Cava, and N. P. Ong, Phys. Rev. Lett. 92, 247001 (2004).
38. F. C. Chou, J. H. Cho, and Y. S. Lee, cond-mat/0404061 (2004).
39. R. Jin, unpublished (presented at APS March meeting, 2004).
40. J. H. Cho, unpublished (see Ref. 38).