First-principles molecular-dynamics simulation of expanded liquid rubidium: Temperature dependence of electronic properties

Journal of Non-Crystalline Solids

Volumn 205-207, Issue 2, 1996, Pages 893-896

  Shimojo, Fuyuki ^a   Zempo, Y ^b   Hoshino, Kozo ^a   Watabe, Mitsuo ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

^b SUMITOMO CHEMICAL CO LTD   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC CONDUCTIVITY OF LIQUIDS; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; LIQUID METALS; MOLECULAR DYNAMICS; THERMAL EFFECTS;

EXPANDED LIQUID RUBIDIUM;

RUBIDIUM;

EID: 0030565739     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3093(96)00322-5     Document Type: Article

References (12)

1. F. Shimojo, Y. Zempo, K. Hoshino and M. Watabe, Phys. Rev. B52 (1995) 9320.
2. S. Nosé, Molec. Phys. 52 (1984) 255; W.G. Hoover, Phys. Rev. A31 (1985) 1695.
3. S. Nosé, Molec. Phys. 52 (1984) 255; W.G. Hoover, Phys. Rev. A31 (1985) 1695.
4. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45 (1980) 566; J.P. Perdew and A. Zunger, Phys. Rev. B23 (1981) 5048.
5. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45 (1980) 566; J.P. Perdew and A. Zunger, Phys. Rev. B23 (1981) 5048.
6. N. Troullier and J.L. Martins, Phys. Rev. B43 (1991) 1993.
7. L. Kleinman and D.M. Bylander, Phys. Rev. Lett. 48 (1982) 1425.
8. M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias and J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045.
9. G. Kresse and J. Hafner, Phys. Rev. B49 (1994) 14251.
10. J.M. Holender, M.J. Gillan, M.C. Payne and A. Simpson, Phys. Rev. B, in press.
11. V.L. Moruzzi, J.F. Janak and A.R. Williams, Calculated Electronic Properties of Metals (Peragamon, New York, 1978).
12. R.W. Ohse, ed., Handbook of Thermodynamic and Transport Properties of Alkali Metals (Blackwell, Oxford, 1985).