Ab initio molecular-dynamics study of liquid alkali-tellurium mixtures

Journal of Non-Crystalline Solids

Volumn 250-252 (II), Issue , 1999, Pages 547-551

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

^a HIROSHIMA UNIVERSITY   (Japan)

^b SUMITOMO CHEMICAL CO LTD   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CORRELATION METHODS; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; FUNCTIONS; MIXTURES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

DENSITY FUNCTIONAL THEORY (DFT);

SEMICONDUCTING TELLURIUM COMPOUNDS;

EID: 0344642564     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-3093(99)00339-7     Document Type: Article

References (12)

1. E. Gerlach, P. Grosse (Eds.), The physics of selenium and tellurium, in: Proceedings of the International Conference on the Physics of Selenium and Tellurium, Königstein, FRG, 1979, Springer, Berlin, 1979.
2. S. Takeda, S. Tamaki, Y. Waseda, J. Phys. Soc. Jpn. 53 (1984) 3830.
3. A. Munelle, R. Bellissent, A.M. Frank, Physica B 156&157 (1989) 174.
4. A. Petric, A.D. Pelton, M-L. Saboungi, J. Chem. Phys. 89 (1988) 5070.
5. J. Fortner, M-L. Saboungi, J.E. Enderby, Phys. Rev. Lett. 69 (1992) 1415.
6. J. Fortner, M-L. Saboungi, Europhys. Lett. 22 (1993) 359.
7. Y. Kawakita, M. Yao, H. Endo, J. Phys. Soc. Jpn. 66 (1997) 1339.
8. J.P. Perdew, in: P. Ziesche, H. Eschrig (Eds.), Electronic Structure of Solids '91, Akademie Verlag, Berlin, 1991.
9. D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
10. S. Nosé, Molec. Phys. 52 (1984) 255.
11. W.G. Hoover, Phys. Rev. A 31 (1985) 1695.
12. L. Verlet, Phys. Rev. 159 (1967) 98.