Calculation of structural pressure-induced phase transitions for magnesium using a local, first principles pseudopotential

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 336, Issue 2-3, 2005, Pages 210-215

  Chavarría, Gregorio Ruiz ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Martensitic; Phase transition

Indexed keywords

CRYSTAL STRUCTURE; MAGNESIUM; PHASE TRANSITIONS; PHONONS; QUANTUM CHEMISTRY;

BODY-CENTERED CUBIC; ELECTRONIC DENSITY; FACE-CENTERED CUBIC; HEXAGONAL CLOSE PACKED; INTERIONIC POTENTIAL; MARTENSITIC; PRESSURE-INDUCED PHASE TRANSITION; PSEUDOPOTENTIALS;

CALCULATIONS;

MAGNESIUM;

ARTICLE; CALCULATION; DENSITY; ELECTRONICS; ENERGY; PHONON; PREDICTION; PRESSURE; ROOM TEMPERATURE;

EID: 13444301143     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2004.12.035     Document Type: Article

References (44)

1. H. Olijnyk, and W.B. Holzapfel Phys. Rev. B 31 1985 4682
2. H. Olijnyk J. Phys.: Condens. Matter 11 1999 6589
3. J.A. Moriarty, and A.K. McMahan Phys. Rev. Lett. 48 1982 809
4. A.K. McMahan, and J.A. Moriarty Phys. Rev. B 27 1983 3235
5. R.M. Wentzcovitch, and L. Cohen Marvin Phys. Rev. B 37 1988 5571
6. J.D. Althoff, P.B. Allen, R.M. Wentzcovitch, and J.A. Moriarty Phys. Rev. B 48 1993 13253
7. R.M. Wentzcovitch Phys. Rev. B 50 1994 10358
8. M. Hanfland, I. Loa, K. Syassen, U. Schwarz, and K. Takemura Solid State Commun. 112 1999 123
9. M. Hanfland, I. Loa, and K. Syassen Phys. Rev. B 65 2002 184109
10. N.E. Christensen, and D.L. Novikov Solid State Commun. 119 2001 477
11. J.B. Neaton, and N.W. Ashcroft Phys. Rev. Lett. 86 2001 2830
12. C.W. Greeff, D.R. Trinkle, and R.C. Albers J. Appl. Phys. 90 2001 2221
13. Y. Kong, and O. Jepsen J. Phys.: Condens. Matter 12 2000 8973
14. P. Söderlind, and M. Ross J. Phys.: Condens. Matter 12 2000 921
15. S. Carlesi, A. Franchini, and V. Bortolani Phys. Rev. B 59 1999 11716
16. K. Takemura, N.E. Christensen, D.L. Novikov, K. Syassen, U. Schwarz, and M. Hanfland Phys. Rev. B 61 2000 14399
17. N.E. Christensen, D.J. Boers, J.L. van Velsen, and D.L. Novikov Phys. Rev. B 61 2000 R3764
18. R. Ahuja, O. Eriksson, and B. Johansson Phys. Rev. B 63 2000 014102
19. X. Jianjun, S.P. Chen, J.S. Tse, D.D. Klug, Z. Li, K. Uehara, and L.G. Wang Phys. Rev. B 62 2000 3624
20. P.K. Lam, and M.L. Cohen Phys. Rev. B 27 1983 5986
21. F. Willaime, and C. Massobrio Phys. Rev. Lett. 63 1989 2244
22. J.L. Pélissier Phys. Scr. 34 1986 838
23. J.A. Moriarty, and J.D. Althoff Phys. Rev. B 51 1995 5609
24. A.K. McMahan Physica 139-140 1986 31
25. L.F. Magaña, and G.J. Vázquez Phys. Rev. B 36 1987 4700
26. G.J. Vázquez, and L.F. Magaña Rev. Mex. Fís. 44 1998 107
27. L.F. Magaña, and G.J. Vázquez J. Phys.: Condens. Matter 7 1995 L393
28. E.A. Mendoza, G.J. Vázquez, and L.F. Magaña J. Phys. France 50 1989 3489
29. L.F. Magaña, and G.J. Vázquez Phys. Rev. B 38 1988 9495
30. J.S. Arellano, and L.F. Magaña Rev. Mex. Fís. 36 1990 596
31. L.F. Magaña Phys. Status Solidi B 172 1992 K57
32. G.J. Vázquez, and L.F. Magaña J. Phys. France 49 1988 497
33. L.F. Magaña, and G.J. Vázquez J. Phys. F 17 1987 L237
34. G.J. Vázquez, and L.F. Magaña Phys. Lett. A 122 1987 267
35. L.F. Magaña, and G.J. Vázquez Phys. Status Solidi B 144 1987 K119
36. M. Manninen, P. Jena, R.M. Nieminen, and J.K. Lee Phys. Rev. B 24 1981 7057
37. R. Rasolt, and R. Taylor Phys Rev. B 11 1975 2717
38. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864
39. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
40. O. Gunnarson, and B.I. Lundqvist Phys. Rev. B 13 1976 4274
41. W.A. Harrison Pseudopotentials in Theory of Metals 1966 Benjamin New York
42. R. Pynn, and G.L. Squires Proc. R. Soc. London A 326 1972 347
43. D.E. Gray American Institute of Physics Handbook third ed. 1972 McGraw-Hill New York
44. C. Kittel Introduction to Solid State Physics seventh ed. 1996 Wiley New York