Second-moment interatomic potential for gold and its application to molecular-dynamics simulations

Journal of Physics Condensed Matter

Volumn 16, Issue 46, 2004, Pages 8399-8407

  Chamati, H ^a   Papanicolaou, N I ^b  

^a INSTITUTE OF SOLID STATE PHYSICS   (Bulgaria)

^b UNIVERSITY OF IOANNINA   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; COMPUTER SIMULATION; ELASTIC MODULI; ELECTROSTATICS; LATTICE CONSTANTS; MOLECULAR DYNAMICS; PHONONS;

ATOMISTIC SIMULATIONS; ELASTIC CONSTANTS; FIRST-PRINCIPLES CALCULATIONS; PHONON DENSITY;

GOLD;

EID: 9944225695     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/16/46/025     Document Type: Article

References (25)

1. Voter A F 1994 The embedded-atom model Intermetallic Compounds vol 1 Principles ed J H Westbrook and R L Fleischer (New York: Wiley)
2. Ducastelle F 1970 J. Phys. (Paris) 31 1055
3. Gupta R P 1981 Phys. Rev. B 23 6265
4. Tomanek D, Aligia A A and Balseiro C A 1985 Phys. Rev. B 32 5051
5. Sutton A P 1994 Electronic Structure of Materials (Oxford: Oxford University Press)
6. Cleri F and Rosato V 1993 Phys. Rev. B 48 22
7. Kallinteris G C, Papanicolaou N I, Evangelakis G A and Papaconstantopoulos GA 1997 Phys. Rev. B 55 2150
8. Lee B-J, Shim J-H and Baskes M I 2003 Phys. Rev. B 68 144112
9. Mattheiss L F, Wood J H and Switendick A C 1968 Methods Comput. Phys. 8 63
10. Janak J F 1974 Phys. Rev. B 9 3985
11. Hedin L and Lundqvist B I 1971 J. Phys. C: Solid State Phys. 4 2064
12. Birch F 1978 J. Geophys. Res. 83 1257
13. Sigalas M M and Papaconstantopoulos D A 1994 Phys. Rev. B 49 1574
14. Papageorgiou D G, Demetropoulos I N and Lagaris I E 1998 Comput. Phys. Commun. 109 227
15. Kittel C 1996 Introduction to Solid State Physics (New York: Wiley-Interscience)
16. [16| Mehl M J, Klein B M and Papaeonstantopoulos D A 1994 Intermetallic Compounds vol 1 Principles ed J H Westbrook and R L Fleischer (New York: Wiley)
17. Simmons G and Wang H 1971 Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook 2nd edn (Cambridge, MA: MIT Press)
18. Mehl M J and Papaconstantopulos D A 1996 Phys. Rev. B 54 4519
19. Simmons R O and Balluffi R W 1962 Phys. Rev. 125 862
20. Tyson W R and Miller W A 1977 Surf. Sci. 62 267
21. Hamelin A and Lecoeur J 1976 Surf. Sci. 57 771
22. Nix F C and MacNair D 1941 Phys. Rev. 60 597
23. Killean R C G and Lisher E J 1975 J. Phys. F: Met. Phys. 5 1407
24. Lindemann F A 1910 Phys. Z. 11 609
25. Lynn J W, Smith H G and Nicklow R M 1973 Phys. Rev. B 8 3493