The ab initio simulation of the liquid Ga-Se system

Journal of Non-Crystalline Solids

Volumn 205-207, Issue 2, 1996, Pages 866-870

  Holender, J M ^a   Gillan, M J ^a  

^a KEELE UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION EFFECTS; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY OF LIQUIDS; ELECTRONIC DENSITY OF STATES; GALLIUM ALLOYS; LIQUID METALS; PROBABILITY DENSITY FUNCTION;

AB INITIO SIMULATION; KUBO GREENWOOD APPROXIMATION;

BINARY ALLOYS;

EID: 0030565719     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3093(96)00319-5     Document Type: Article

References (16)

1. J.E. Enderby and A.C. Barnes, Rep. Prog. Phys. 53 (1990) 85.
2. S. Ohno, A.C. Barnes and J.E. Enderby, J. Phys.: Condens. Matter 2 (1990) 7707.
3. T. Okada and S. Ohno, J. Non-Cryst. Solids 156-158 (1993) 748.
4. F. Kirchhoff, J.M. Holender and M. J. Gillan, Europhys. Lett. 33 (1996) 605; these Proceedings, p. 79. Phys. Rev. B54, in press.
5. F. Kirchhoff, J.M. Holender and M. J. Gillan, Europhys. Lett. 33 (1996) 605; these Proceedings, p. 79. Phys. Rev. B54, in press.
6. J.M. Holender, M.J. Gillan, M.C. Payne and A.D. Simpson, Phys. Rev. 52 (1995) 967.
7. F. Kirchhoff, M.J. Gillan and J.M. Holender, J. Non-Cryst. Solids, these proceedings, p. 924.
8. I. Stich, R. Car and M. Parrinello, Phys. Rev. Lett. 63 (1989) 2240.
9. Q.M. Zhang, G. Chiarotti, A. Selloni, R. Car and M. Parrinello, Phys. Rev. B42 (1990) 5071.
10. G.A. de Wijs, G. Pastore, A. Selloni and W. van der Lugt, Europhys. Lett. 27 (1994) 667.
11. G. Kresse and J. Hafner, Phys. Rev. B49 (1994) 14251.
12. M. Schöne, R. Kaschner and G. Seifert, J. Phys.: Condens. Matter 7 (1995) L19.
13. S.B. Lague, A.C. Barnes, A.D. Archer and W.S. Howells, these Proceedings, p. 89.
14. R. Car and M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471.
15. J.M. Holender and M.J. Gillan, Phys. Rev. B53 (1996) 4399.
16. G. Ginter, J.G. Gasser and R. Kleim, Philos. Mag. B54 (1986) 543.