Total-energy study of hydrogen ordering in PdH x(0⩽x⩽1)

Physical Review B - Condensed Matter and Materials Physics

Volumn 53, Issue 1, 1996, Pages 1-4

  Wang, Yan ^a   Sun, Sheng N ^a   Chou, M ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002972637     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.53.1     Document Type: Article

References (41)

1. Hydrogen in Metals, edited by G. Alefeld and J. Völkl (Springer, Berlin, 1978).
2. Hydrogen in Intermetallic Compounds I, edited by L. Schlapbach (Springer-Verlag, Berlin, 1988).
3. Metal-Hydrogen System: Fundamentals and Applications, edited by F. D. Manchester (Elsevier Sequoia, Lausanne, 1990).
4. J. E. Worsham, M. G. Wilkinson and C. G. Shull, J. Phys. Chem. Solids 3, 303 (1957);A. I. Schindler, R. J. Smith, and E. W. Kammer (unpublished).
5. T. Skoskiewicz and B. Baranowski, Phys. Status Solidi 30, K33 (1968).
6. E. Wicke and J. Blaurock, J. Less-Common Met. 130, 351 (1987).
7. D. M. Nace and J. G. Aston, J. Am. Chem. Soc. 79, 3527 (1957).
8. N. S. Ho and F. D. Manchester, J. Chem. Phys. 51, 5437 (1969).
9. J. K. Jacobs, C. R. Brown and F. D. Manchester, Ber. Bunsenges. Phys. Chem. 76, 827 (1972).
10. S. Zepeda and F. D. Manchester, J. Low Temp. Phys. 4, 127 (1971).
11. J. K. Jacobs and F. D. Manchester, J. Less-Common Met. 49, 67 (1976).
12. For a review, see O. Blaschko, J. Less-Common Met. 100, 307 (1984).
13. I. S. Anderson, C. J. Carlile and D. K. Ross, J. Phys. C 11, L381 (1978).
14. I. S. Anderson, D. K. Ross and C. J. Carlile, Phys. Lett. A 68, 249 (1978).
15. T. E. Ellis, C. B. Satterthwaite, M. H. Mueller and T. O. Brun, Phys. Rev. Lett. 42, 456 (1979).
16. O. Blaschko, P. Fratzl and R. Klemencic, Phys. Rev. B 24, 277 (1981).
17. O. Blaschko, P. Fratzl and R. Klemencic, Phys. Rev. B 24, 6486 (1981).
18. R. A. Bond and D. K. Ross, J. Phys. F 12, 597 (1982).
19. J. Kanamori and Y. Kakehashi, J. Phys. (Paris) Colloq. 38, C7-274 (1977).
20. C. Elsässer, K. M. Ho, C. T. Chan and M. Fähnle, Phys. Rev. B 44, 10377 (1991).
21. J. Phys. Condens. Matter 4, 5207 (1992).
22. B. Klein and R. E. Cohen, Phys. Rev. B 45, 12405 (1992).
23. A. C. Switendick, J. Less-Common Met. 130, 249 (1987).
24. C. T. Chan and S. G. Louie, Phys. Rev. B 27, 3325 (1983).
25. C. Elsässer. K. M. Ho and C. T. Chan, Physica B 172, 217 (1991).
26. Z. Sun and D. Tomanek, Phys. Rev. Lett. 63, 59 (1989).
27. P. K. Lam and R. Yu, Phys. Rev. Lett. 63, 1895 (1989).
28. X. W. Wang, S. G. Louie and M. L. Cohen, Phys. Rev. B 40, 5822 (1989).
29. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
30. W. Kohn and L. J. Sham, Phys. Rev. 148, A1133 (1965).
31. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
32. C. L. Fu and K. M. Ho, Phys. Rev. B 28, 5480 (1983).
33. L. Hedin and B. I. Lundqvist, J. Phys. C 4, 2064 (1971).
34. F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. 30, 244 (1944).
35. O. L. Anderson, J. Phys. Chem. Solids 27, 547 (1966).
36. B. J. Beaudry and K. A. Gschneidner, Jr., in Handbook on the Physics and Chemistry of Rare Earths, edited by K. A. Gschneidner, Jr. and L. R. Eyring (North-Holland, Amsterdam, 1978).
37. For the notations and geometries, see Z. W. Lu, S-H. Wei, A. Zunger, S. Frota-Pessoa and L. G. Ferreira, Phys. Rev. B 44, 512 (1991).
38. S-H. Wei, A. A. Mbaye, L. G. Ferreira and A. Zunger, Phys. Rev. B 36, 4163 (1987).
39. O. Blaschko, Phys. Rev. B 29, 5187 (1984).
40. S. N. Sun, Y. Wang and M. Y. Chou, Phys. Rev. B 49, 6481 (1994).
41. G. André, O. Blaschko, W. Schwarz, J. N. Daou and P. Vajda, Phys. Rev. B 46, 8644 (1992).