Structure and dynamics of bulk liquid Ga and the liquid-vapor interface: An ab initio study

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 6, 2008, Pages

  González, Luis E ^a   González, David J ^a  

^a UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 40749154389     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.064202     Document Type: Article

References (55)

1. P. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964)
2. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, A1133 (1965).
3. J. E. Inglesfield, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/1/5/324 1, 1337 (1968).
4. X. G. Gong, G. L. Chiarotti, M. Parrinello, and E. Tosatti, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.14277 43, 14277 (1991).
5. K. K. Mon, N. W. Ashcroft, and G. V. Chester, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.19.5103 19, 5103 (1979).
6. J. L. Bretonnet and C. Regnaut, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.31.5071 31, 5071 (1985)
7. M. Boulahbak, J.-F. Wax, N. Jakse, and J. L. Bretonet, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/9/20/002 9, 4017 (1997)
8. S. K. Lai, K. Horii, and M. Iwamatsu, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.58.2227 58, 2227 (1998).
9. J. Hafner and W. Jank, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42. 11530 42, 11530 (1990).
10. X. G. Gong, G. L. Chiarotti, M. Parrinello, and E. Tosatti, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/21/4/015 21, 469 (1993).
11. J. M. Holender, M. J. Gillan, M. C. Payne, and A. D. Simpson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.967 52, 967 (1995).
12. M.-C. Bellissent-Funel, R. Bellissent, and G. Tourand, J. Phys. F: Met. Phys. JPFMAT 0305-4608 10.1088/0305-4608/11/1/016 11, 139 (1981)
13. M.-C. Bellissent-Funel, P. Chieux, D. Levesque, and J. J. Weis, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.39.6310 39, 6310 (1989).
14. Y. Waseda, The Structure of Non-Crystalline Materials (McGraw-Hill, New York, 1980).
15. F. J. Bermejo, M. Garcia-Hernandez, J. L. Martinez, and B. Hennion, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.49.3133 49, 3133 (1994).
16. F. J. Bermejo, R. Fernandez-Perea, M. Alvarez, B. Roessli, H. E. Fischer, and J. Bossy, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.56.3358 56, 3358 (1997).
17. L. E. Bove, F. Formisano, F. Sacchetti, C. Petrillo, A. Ivanov, B. Dorner, and F. Barocchi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71. 014207 71, 014207 (2005).
18. T. Scopigno, A. Filipponi, M. Krisch, G. Monaco, G. Ruocco, and F. Sette, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.255506 89, 255506 (2002).
19. T. Scopigno, R. Di Leonardo, L. Comez, A. Q. R. Baron, D. Fioretto, and G. Ruocco, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.155301 94, 155301 (2005).
20. S. Hosokawa, W.-C. Pilgrim, H. Sinn, and E. E. Alp, Physica B (Amsterdam) 350, 262 (2004). 0921-4526
21. U. Balucani and M. Zoppi, Dynamics of the Liquid State (Clarendon, Oxford, 1994)
22. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, London, 1986).
23. D. J. González, L. E. González, J. M. López, and M. J. Stott, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.184201 65, 184201 (2002).
24. M. J. Regan, E. H. Kawamoto, S. Lee, P. S. Pershan, N. Maskil, M. Deutsch, O. M. Magnussen, B. M. Ocko, and L. E. Berman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.75.2498 75, 2498 (1995).
25. M. J. Regan, P. S. Pershan, O. M. Magnussen, B. M. Ocko, M. Deutsch, and L. E. Berman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.9730 54, 9730 (1996).
26. M. J. Regan, P. S. Pershan, O. M. Magnussen, B. M. Ocko, M. Deutsch, and L. E. Berman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.15874 55, 15874 (1997).
27. B. Lin, M. Meron, J. Gebhardt, T. Graber, D. Li, B. Yang, and S. A. Rice, Physica B (Amsterdam) 357, 106 (2005). 0921-4526
28. M. Zhao, D. S. Chekmarev, Z. H. Cai, and S. A. Rice, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.56.7033 56, 7033 (1997).
29. M. Zhao, D. S. Chekmarev, and S. A. Rice, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476771 109, 1959 (1998).
30. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996)
31. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997). 0031-9007
32. F. Perrot, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/2/014 6, 431 (1994)
33. E. Smargiassi and P. A. Madden, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.49.5220 49, 5220 (1994)
34. M. Foley and P. A. Madden, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.10589 53, 10589 (1996).
35. J. Blanco, D. J. González, L. E. González, J. M. López, and M. J. Stott, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.67.041204 67, 041204 (2003)
36. D. J. González, L. E. González, J. M. López, and M. J. Stott, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.69.031205 69, 031205 (2004).
37. D. J. González, L. E. González, and M. J. Stott, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.085501 92, 085501 (2004)
38. D. J. González, L. E. González, and M. J. Stott, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.077801 94, 077801 (2005).
39. M. Inui, S. Takeda, and T. Uechi, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.61.3203 61, 3203 (1992).
40. N. E. Cusak, The Physics of Structurally Disordered Matter (Adam Hilger, Bristol, 1987).
41. R. L. McGreevy, A. Baranyai, and I. Ruff, Phys. Chem. Liq. PCLQAC 0031-9104 10.1080/00319108608078499 16, 47 (1986).
42. A. Torcini, U. Balucani, P. H. K. de Jong, and P. Verkerk, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.51.3126 51, 3126 (1995).
43. F. Shimojo, K. Hoshino, and M. Watabe, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.63.141 63, 141 (1994).
44. S. Kambayashi and G. Kahl, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.46.3255 46, 3255 (1992)
45. G. Kahl and S. Kambayashi, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/50/004 6, 10897 (1994).
46. J. Casas, D. J. González, and L. E. González, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.10094 60, 10094 (1999)
47. J. Casas, D. J. González, L. E. González, M. M. G. Alemany, and L. J. Gallego, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.12095 62, 12095 (2000).
48. J. P. Boon and S. Yip, Molecular Hydrodynamics (Dover, New York, 1991).
49. B. J. Palmer, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.49.359 49, 359 (1994).
50. U. Balucani, J. P. Brodholt, P. Jedlovszky, and R. Vallauri, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.62.2971 62, 2971 (2000).
51. J. Vollmann and D. Riedel, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/8/34/007 8, 6175 (1996).
52. T. Iida and R. I. L. Guthrie, Physical Properties of Liquid Metals (Clarendon, Oxford, 1988), p. 200.
53. L. E. González, D. J. González, and M. J. Stott, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2125728 123, 201101 (2005).
54. D. J. González, L. E. González, and M. J. Stott, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.014207 74, 014207 (2006).
55. G. Fabricius, E. Artacho, D. Sanchez-Portal, P. Ordejon, D. A. Drabold, and J. M. Soler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.R16283 60, R16283 (1999).