Density-functional studies of high-pressure properties and molecular dissociations of halogen molecular crystals

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 9, 2003, Pages

  Miao, S ^a,c   Van Doren, E ^a   Martins, José L ^b,d  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b INESC   (Portugal)

^c CASE WESTERN RESERVE UNIVERSITY   (United States)

^d INSTITUTO SUPERIOR TÉCNICO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE; CHLORINE; HALOGEN; IODINE;

ARTICLE; CORRELATION FUNCTION; CRYSTAL; CRYSTAL STRUCTURE; DISSOCIATION; MATHEMATICAL ANALYSIS; PHASE TRANSITION; PRESSURE;

EID: 0242362611     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.094106     Document Type: Article

References (34)

1. Y. Fujii, K. Hase, Y. Ohishi, H. Fujihisa, N. Hamaya, K. Takemura, O. Shimomura, T. Kikegawa, Y. Amemiya, and T. Matsushita, Phys. Rev. Lett. 63, 536 (1989).
2. Y. Fujii, K. Hase, N. Hamaya, Y. Ohishi, A. Onodera, O. Shimomura, and K. Takemura, Phys. Rev. Lett. 58, 796 (1987).
3. K. Takemura, S. Minomura, O. Shimomura, and Y. Fujii, Phys. Rev. Lett. 45, 1881 (1980).
4. K. Takemura, S. Minomura, O. Shimomura, Y. Fujii, and J.D. Axe, Phys. Rev. B 26, 998 (1982).
5. Y. Fujii, Y. Ohishi, A. Onodera, K. Takemura, and R.L. Reichlin, Jpn. J. Appl. Phys. 24, 606 (1985).
6. E.F. Düsing, W.A. Grosshans, and W.B. Holzapfel, J. Phys. C 8, 203 (1984).
7. D.H. Drickamer, R.W. Lynch, R.L. Clendenen, and E.A. Perez-Albuerne, Solid State Phys. 19, 135 (1966);
8. R.W. Lynch and D.H. Drickamer, J. Chem. Phys. 45, 1020 (1966).
9. R.W. Lynch and H.G. Drickamer, J. Chem. Phys. 45, 1020 (1966).
10. R.W. Lynch, R.L. Clendenen, and E.A. Perez-Albuerne, Solid State Phys. 19, 135 (1966).
11. H. Fujihisa, Y. Fujii, K. Takemura, and O. Shimomura, J. Phys. Chem. Solids 56, 1439 (1995).
12. Y. Fujii, K. Hase, Y. Ohishi, N. Hamaya, and A. Onodera, Solid State Commun. 59, 85 (1986).
13. N. Orita, T. Sasaki, and K. Niizeki, Solid State Commun. 64, 391 (1987).
14. N. Orita, K. Niizeki, and K. Shindo, in 20th International Conference on the Physics of Semiconductors, edited by E. M. Anatassakis and J. D. Joannopoulos (World Scientific, Singapore, 1990), Vol. 3, p. 2201.
15. H. Sakamoto, M. Shirai, and N. Suzuki, J. Phys. Soc. Jpn. 64, 3860 (1995).
16. F. Siringo, R. Pucci, and N.H. March, Phys. Rev. B 37, 2491 (1988).
17. R. Pucci, F. Siringo, and N.H. March, Phys. Rev. B 38, 9517 (1988).
18. F. Siringo, R. Pucci, and N.H. March, Phys. Rev. B 38, 9567 (1988).
19. N. Orita, K. Niizeki, K. Shindo, and H. Tanaka, J. Phys. Soc. Jpn. 61, 4502 (1992).
20. K. Yamaguchi and H. Miyagi, Phys. Rev. B 57, 11-141 (1998).
21. H. Miyagi, K. Yamaguchi, H. Matsuo, and K. Mukose, J. Phys.: Condens. Matter 10, 11-203 (1998).
22. C.H. Park, B.-H. Cheong, K.-H. Lee, and K.J. Chang, Phys. Rev. B 49, 4485 (1994).
23. I. Souza and J.L. Martins, Phys. Rev. B 55, 8733 (1997).
24. W.C. Davidon, Math. Program. 9, 1 (1975).
25. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
26. J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
27. J.P. Perdew and Y. Wang, Phys. Rev. B 45, 13-244 (1992).
28. N. Troullier and J.L. Martins, Phys. Rev. B 43, 1993 (1991).
29. R. W. G. Wyckoff, Crystal Structures, 2nd ed. (Interscience, New York, 1963), p. 52.
30. D. A. Young, Phase Diagrams of the Elements (University of California Press, Berkeley, 1979).
31. P.R. Vansant, P.E. Van Camp, V.E. Van Doren, and J.L. Martins, Phys. Rev. B 57, 7615 (1998).
32. B. Montanari and R.O. Jones, Chem. Phys. Lett. 272, 347 (1997).
33. M.S. Miao, M.-L Zhang, V.E. Van Doren, C. Van Alsenoy, and J.L. Martins, J. Chem. Phys. 115, 11-317 (2001).
34. B.M. Riggleman and H.G. Drickamer, J. Chem. Phys. 38, 2721 (1963).