Computer simulation of Au clusters properties

Transactions of Nonferrous Metals Society of China (English Edition)

Volumn 10, Issue 1, 2000, Pages 22-24

  Ji cheng, Zhou ^a   Hong bo, H E ^a   Yi bing, L I ^a   Bai yun, Huang ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Au cluster properties; Computer simulation; Tight binding theory

Indexed keywords

COMPUTER SIMULATION; ELASTIC MODULI; LATTICE CONSTANTS; METAL MELTING; NANOSTRUCTURED MATERIALS;

GOLD CLUSTER PROPERTIES; GOLD NANOCLUSTER; SECOND MOMENT APPROXIMATION; TIGHT BINDING THEORY;

GOLD;

EID: 0034138398     PISSN: 10036326     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (13)

1. Andrec R P, Bein T, Dorogi M, et al. "Coulomb staircase" at room-temperature in a self-assembled molecular nanostructure [J]. Science, 1996, 272: 1323.
2. Mirkin C A, Letsinger R L, Mucic R C, et al. A DNA-based method for rationally assembling nanoparticle into macroscopic materials [J]. Nature, 1996, 382; 607.
3. Androitis A N, Menon M. Self-consistent tight-binding molecular-dynamics method for cluster studies [J]. Phys Rev B, 1999, 59(24): 15942.
4. Li Y B, Blaisten-Barojas E, Papaconstantopoulos D A. Molecular dynamics study of neutral and multiply charged sodium clusters [J]. Chem Phys Lett, 1997, 268: 331.
5. Car R, Parrinello M. Unified approach for molecular dynamics and density-functional theory [J]. Phys Rev Lett, 1985, 55(22): 2471.
6. Zhong W, Li Y S, Tomanek D. Effect of adsorbates on surface phonon modes: H on Pd(001) and Pd(110) [J]. Phys Rev B, 1991, 44(20): 13053.
7. Sigalas M, Papaconstantopoulos D A. Transferable total-energy parametrization for metals; applications to elastic-constant determination [J]. Phys Rev B, 1994, 49(3): 1574.
8. Sigalas M, Bacalis N C, Papaconstantopoulos D A, et al. Total-energy calculations of solid H, Li, Na, K, Rb and Cs [J]. Phys Rev B, 1990, 42(18): 11637.
9. Janak J F. Simplification of total-energy and pressure calculations in solids [J]. Phys Rev B, 1974, 9 (10): 3985.
10. Hedin L, Lundqvist B I. Explicit local exchange-correlation potentials [J]. J Phys C, 1971, 4: 1064.
11. Birch F. Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300 K [J]. J Geophys Res, 1978, 83: 1257.
12. Li Y B, Blaisten-Barojas E, Papaconstantopoulos D A. Structure and dynamics of alkali-metal clusters and fission of highly charged clusters [J]. Phys Rev B, 1998, 57(24): 15519.
13. Müller H, Fritsche H G, Skala L. Analystic cluster models and interpolation formulae for cluster properties in clusters of atoms and molecules [J]. Berlin: Springer, 1994. 255.