On the influence of the initial liquid configuration on the structure of a glass obtained using ab-initio molecular dynamics simulations

Journal of Non-Crystalline Solids

Volumn 355, Issue 37-42, 2009, Pages 1807-1810

  Le Roux, Sébastien ^a   Jund, Philippe ^a  

^a UNIVERSITÉ DE MONTPELLIER   (France)

Author keywords

Ab initio; Chalcogenides; Density functional theory; Glass formation; Medium range order; Modeling and simulation; Molecular dynamics; Short range order; Structure

Indexed keywords

AB-INITIO; GLASS FORMATION; MEDIUM-RANGE ORDER; MODELING AND SIMULATION; SHORT-RANGE ORDER; STRUCTURE;

CHALCOGENIDES; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DYNAMICS; LIQUIDS; METALLIC GLASS; MOLECULAR DYNAMICS; OPTICAL GLASS; PHASE CHANGE MEMORY;

COOLING;

EID: 69149090253     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnoncrysol.2008.12.023     Document Type: Article

References (18)

1. Boolchand P., Grothaus J., Tenhover M., Hazle M.A., and Grasselli R.K. Phys. Rev. B33 8 (1986) 5421-5434
2. Miyauchi K., Qiu J., Shojiya M., Kawamoto Y., and Kitamura N. J. Non-Cryst. Solids. 279 2-3 (2001) 186-195
3. Ibanez A., Bionducci M., Philippot E., Descôtes L., and Bellissent R. J. Non-Cryst. Solids. 202 3 (1996) 248-252
4. Blaineau S., Jund P., and Drabold D.A. Phys. Rev. B67 9 (2003) 094204
5. Blaineau S., and Jund P. Phys. Rev. B69 6 (2004) 064201
6. Blaineau S., and Jund P. Phys. Rev. B70 18 (2004) 184210
7. Koblar J., Briley A., Grossman S., Porezag D.V., and Pederson M.R. Phys. Rev. B60 22 (1999) R14985-R14989
8. Le Roux S., and Jund P. J. Phys.: Cond. Mat. 19 19 (2007) 169102
9. Massobrio C., Pasquarello A., and Car R. Phys. Rev. B64 14 (2001) 144205
10. Massobrio C., and Pasquarello A. Phys. Rev. B77 14 (2008) 144207
11. Sankey O.F., and Niklewski D.J. Phys. Rev. B40 6 (1989) 3979-3995
12. Hohenberg P., and Kohn W. Phys. Rev. 136 3B (1964) B864-B871
13. Kohn W., and Sham L.J. Phys. Rev. 140 4A (1965) A1133-A1138
14. Harris J. Phys. Rev. B31 4 (1985) 1770-1779
15. Bachelet G.B., Hamann D.R., and Schlüter M. Phys. Rev. B26 8 (1982) 4199-4228
16. Cai L., and Boolchand P. Phil. Mag. B82 15 (2002) 1649-1657
17. Maruyama K., Ebata H., Suzuki S., Misawa M., Takeda S., and Kawakita Y. J. Non-Cryst. Solids. 250-252 2 (1999) 483-487
18. Blaineau S., and Jund P. Phys. Rev. B74 18 (2006) 054203