Melting of sodium clusters in the extended Thomas-Fermi approximation - art. no. 235409

Authors
Blaise, P Blundell, SA
Citation
P. Blaise et Sa. Blundell, Melting of sodium clusters in the extended Thomas-Fermi approximation - art. no. 235409, PHYS REV B, 6323(23), 2001, pp. 5409
Citations number
34
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
6323
Issue
23
Year of publication
2001
Database
ISI
SICI code
0163-1829(20010615)6323:23<5409:MOSCIT>2.0.ZU;2-I
Abstract
We study the melting of small sodium clusters Na-N (N = 8,20,40) and Na-N() (N = 53 - 57,93,139,147) using an ab initio treatment of valence electron s within the extended Thomas-Fermi approximation. The ionic entropy and spe cific heats are extracted using a multiple-histogram analysis. The smaller clusters show multiprocess melting, while the larger clusters favor predomi nantly single-process melting. We find a pronounced maximum in the melting point around N = 55.