Cation and vacancy ordering

Physical Review B - Condensed Matter and Materials Physics

Volumn 57, Issue 4, 1998, Pages 2242-2252

  Wolverton, C ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001217878     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.2242     Document Type: Article

References (42)

1. A. Zunger and S. Mahajan, in Handbook on Semiconductors (Elsevier, New York, 1993), Vol. 3.
2. T. A. Hewston and B. L. Chamberland, J. Phys. Chem. Solids 48, 97 (1987).
3. W. Li, J. N. Reimers, and J. R. Dahn, Phys. Rev. B 49, 826 (1994).
4. S. -H. Wei and A. Zunger, Phys. Rev. B 48, 6111 (1993).
5. Phys. Rev. BS. -H. WeiA. Zunger55, 13 605 (1997).
6. K. Mizushima, P. C. Jones, P. J. Wiseman, and J. B. Goodenough, Mater. Res. Bull. 15, 783 (1980).
7. Solid State Batteries: Materials Design and Optimization, edited by C. Julien and G.-A. Nazri (Kluwer, Boston, 1994), Chap. 1.
8. R. J. Gummow and M. M. Thackeray, Solid State Ionics 53, 681 (1992).
9. R. J. Gummow, D. C. Liles, M. M. Thackeray, and W. I. F. David, Mater. Res. Bull. 28, 1177 (1993).
10. E. Rossen, J. N. Reimers, and J. R. Dahn, Solid State Ionics 62, 53 (1993).
11. M. Antaya, J. R. Dahn, J. S. Preston, E. Rossen, and J. N. Reimers, J. Electrochem. Soc. 140, 575 (1993).
12. G. G. Amatucci, J. M. Tarascon, and L. C. Klein, J. Electrochem. Soc. 143, 1114 (1996).
13. J. N. Reimers and J. R. Dahn, J. Electrochem. Soc. 139, 2091 (1992).
14. T. Ohzuku, A. Ueda, M. Nagayama, Y. Iwakoshi, and H. Komori, Electrochim. Acta 38, 1159 (1993).
15. J. N. Reimers and J. R. Dahn, Phys. Rev. B 47, 2995 (1993).
16. D. J. Singh, Planewaves, Pseudopotentials, and the LAPW Method (Kluwer, Boston, 1994).
17. S.-H. Wei and H. Krakauer, Phys. Rev. Lett. 55, 1200 (1985), and references therein.
18. D. de Fontaine, Solid State Phys. 34, 73 (1979).
19. J. Kanamori and Y. Kakehashi, J. Phys. (Paris), Colloq. 38, C7-274 (1977).
20. J. M. Sanchez, F. Ducastelle, and D. Gratias, Physica A 128, 334 (1984).
21. F. Ducastelle, Order and Phase Stability in Alloys (Elsevier, New York, 1991).
22. D. de Fontaine, Solid State Phys. 47, 33 (1994).
23. A. Zunger, in Statics and Dynamics of Alloy Phase Transformations, Vol. 319 of NATO Advanced Study Institute Series B: Physics, edited by P. E. A. Turchi and A. Gonis (Plenum, New York, 1994).
24. K. Binder, Monte Carlo Methods in Statistical Physics: An Introduction (Springer-Verlag, New York, 1992).
25. Applications of the Monte Carlo Method in Statistical Physics, edited by K. Binder (Springer-Verlag, New York, 1987).
26. S.-H. Wei, L. G. Ferreira, and A. Zunger, Phys. Rev. B 45, 2533 (1992).
27. G. Ceder, Comput. Mater. Sci. 1, 144 (1993).
28. Z.-W. Lu, S.-H. Wei, A. Zunger, S. Frota-Pessoa, and L. G. Ferreira, Phys. Rev. B 44, 512 (1991).
29. L.G. Ferreira, S.-H. Wei, and A. Zunger, Int. J. Supercomput. Appl. 5, 34 (1991).
30. D. B. Laks, L. G. Ferreira, S. Froyen, and A. Zunger, Phys. Rev. B 46, 12 587 (1992).
31. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
32. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
33. S. Froyen, Phys. Rev. B 39, 3168 (1989).
34. Phys. Rev. BH. J. Monkhorst and J. D. Pack, 13, 5188 (1976).
35. R. J. Gummow, D. C. Liles, and M. M. Thackeray, Mater. Res. Bull. 28, 235 (1993).
36. M. Antaya, K. Cearns, J. S. Preston, J. N. Reimers, and J. R. Dahn, J. Appl. Phys. 76, 2799 (1994).
37. B. Garcia, P. Barvoux, F. Ribot, A. Kahn-Harari, L. Mazerolles, and N. Baffier, Solid State Ionics 80, 111 (1995).
38. M. K. Aydinol, A. F. Kohan, G. Ceder, K. Cho, and J. Joannopoulos, Phys. Rev. B 56, 1354 (1997).
39. L. Bellaiche (private communication).
40. A. Silverman, A. Zunger, R. Kalish, and J. Adler, Phys. Rev. B 51, 10 795 (1995).
41. S.-H. Wei, L. G. Ferreira, and A. Zunger, Phys. Rev. B 41, 8240 (1990).
42. M. Antaya, J. R. Dahn, J. S. Preston, E. Rossen, and J. N. Reimers, J. Electrochem. Soc. 140, 575 (1993).