Why do gallium clusters have a higher melting point than the bulk?

Physical Review Letters

Volumn 92, Issue 13, 2004, Pages

  Chacko, S ^a   Joshi, Kavita ^a   Kanhere, D G ^a   Blundell, S A ^b  

^a UNIVERSITY OF PUNE   (India)

^b CEA GRENOBLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; MELTING; MOLECULAR DYNAMICS; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION; SPECIFIC HEAT; THERMODYNAMIC PROPERTIES;

COVALENT BONDS; ELECTRON LOCALIZATION FUNCTIONS (ELF); MOLECULAR DYNAMICS SIMULATIONS; VALENCE ELECTRONS;

GALLIUM;

EID: 2342583281     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.135506     Document Type: Article

References (23)

1. M. Schmidt, R. Kusche, Th. Hippler, J. Donges, W. Kronmüller, B. von Issendorff, and H. Haberland, Phys. Rev. Lett. 86, 1191 (2001).
2. A. A. Shvartsburg and M. F. Jarrold, Phys. Rev. Lett. 85, 2530 (2000).
3. M. Schmidt and H. Haberland, C. R. Physique 3, 327 (2002); M. Schmidt, R. Kusche, W. Kronmüller, B. von Issendorff, and H. Haberland, Nature (London) 393, 238 (1998).
4. M. Schmidt and H. Haberland, C. R. Physique 3, 327 (2002); M. Schmidt, R. Kusche, W. Kronmüller, B. von Issendorff, and H. Haberland, Nature (London) 393, 238 (1998).
5. P. Pawlow, Z. Phys. Chem. (Leipzig) 65, 1 (1909); Ph. Buffat and J.-P. Borel, Phys. Rev. A 13, 2287 (1976).
6. P. Pawlow, Z. Phys. Chem. (Leipzig) 65, 1 (1909); Ph. Buffat and J.-P. Borel, Phys. Rev. A 13, 2287 (1976).
7. G. A. Breaux, R. C. Benirschke, T. Sugai, B. S. Kinnear, and M. F. Jarrold, Phys. Rev. Lett. 91, 215508 (2003).
8. R. S. Berry, Int. J. Mod. Phys. B 6, 3695 (1992); D.J. Wales, Mol. Phys. 78, 151 (1993).
9. R. S. Berry, Int. J. Mod. Phys. B 6, 3695 (1992); D.J. Wales, Mol. Phys. 78, 151 (1993).
10. F. Calvo and F. Spiegelmann, J. Chem. Phys. 112, 2888 (2000); N. Ju and A. Bulgac, Phys. Rev. B 48, 2721 (1993).
11. F. Calvo and F. Spiegelmann, J. Chem. Phys. 112, 2888 (2000); N. Ju and A. Bulgac, Phys. Rev. B 48, 2721 (1993).
12. Kavita Joshi, D. G. Kanhere, and S. A. Blundell, Phys. Rev. B 66, 155329 (2002); 67, 235413 (2003).
13. Kavita Joshi, D. G. Kanhere, and S. A. Blundell, Phys. Rev. B 66, 155329 (2002); 67, 235413 (2003).
14. A. M. Ferrenberg and R. H. Swendsen, Phys. Rev. Lett. 61, 2635 (1988); P. Labastie and R. L. Whetten, Phys. Rev. Lett. 65, 1567 (1990).
15. A. M. Ferrenberg and R. H. Swendsen, Phys. Rev. Lett. 61, 2635 (1988); P. Labastie and R. L. Whetten, Phys. Rev. Lett. 65, 1567 (1990).
16. R.O. Jones, J. Chem. Phys. 99, 1194 (1993).
17. Vienna ab initio simulation package, Technische Universität Wien, 1999; G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
18. Vienna ab initio simulation package, Technische Universität Wien, 1999; G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
19. D. G. Kanhere, A. Vichare, and S. A. Blundell, Reviews in Modern Quantum Chemistry, edited by K. D. Sen (World Scientific, Singapore, 2001).
20. X.G. Gong et al., Phys. Rev. B 43, 14277 (1991).
21. V. Heine, J. Phys. C 1, 222 (1968); V. Heine and D. Weaire, Solid State Phys. 24, 249 (1970).
22. V. Heine, J. Phys. C 1, 222 (1968); V. Heine and D. Weaire, Solid State Phys. 24, 249 (1970).
23. B. Silvi and A. Savin, Nature (London) 371, 683 (1994).