INSTABILITY OF CUBOCTAHEDRAL COPPER CLUSTERS

被引：101

作者：

VALKEALAHTI, S

MANNINEN, M

机构：

[1] Department of Physics, University of Jyväskylä, SF-40351 Jyväskylä

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 16期

关键词：

D O I：

10.1103/PhysRevB.45.9459

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Equilibrium structures of copper clusters up to 10 000 atoms are studied using molecular-dynamics and effective-medium theory. Icosahedral closed-shell clusters are most stable up to approximately 2500 atoms and the Wulff polyhedra are favored for larger clusters. Cuboctahedral closed-shell clusters up to approximately 2000 atoms are unstable. They undergo a nondiffusive transition to an icosahedral structure at low temperatures and melt directly above the fcc-cluster-melting temperature. The melting temperature decreases with decreasing cluster size but not as deeply as has been reported for pure metals.

引用

收藏

页码：9459 / 9462

页数：4

相关论文

共 30 条

[1] FREEZING, MELTING, SPINODALS, AND CLUSTERS [J].

BERRY, RS ;

WALES, DJ .

PHYSICAL REVIEW LETTERS, 1989, 63 (11) :1156-1159

[2] MEAN-FIELD QUANTIZATION OF SEVERAL HUNDRED ELECTRONS IN SODIUM METAL-CLUSTERS [J].

BJORNHOLM, S ;

BORGGREEN, J ;

ECHT, O ;

HANSEN, K ;

PEDERSEN, J ;

RASMUSSEN, HD .

PHYSICAL REVIEW LETTERS, 1990, 65 (13) :1627-1630

[3] SYSTEMATIC ABINITIO CONFIGURATION-INTERACTION STUDY OF ALKALI-METAL CLUSTERS .2. RELATION BETWEEN ELECTRONIC-STRUCTURE AND GEOMETRY OF SMALL SODIUM CLUSTERS [J].

BONACICKOUTECKY, V ;

FANTUCCI, P ;

KOUTECKY, J .

PHYSICAL REVIEW B, 1988, 37 (09) :4369-4374

[4] MAGNETIC-PROPERTIES OF FREE COBALT CLUSTERS [J].

BUCHER, JP ;

DOUGLASS, DC ;

BLOOMFIELD, LA .

PHYSICAL REVIEW LETTERS, 1991, 66 (23) :3052-3055

[5] SIZE EFFECT ON MELTING TEMPERATURE OF GOLD PARTICLES [J].

BUFFAT, P ;

BOREL, JP .

PHYSICAL REVIEW A, 1976, 13 (06) :2287-2298

[6] ELECTRONIC-STRUCTURE AND BINDING-ENERGIES OF ALUMINUM CLUSTERS [J].

CHENG, HP ;

BERRY, RS ;

WHETTEN, RL .

PHYSICAL REVIEW B, 1991, 43 (13) :10647-10653

[7] CU CLUSTER SHELL STRUCTURE AT ELEVATED-TEMPERATURES [J].

CHRISTENSEN, OB ;

JACOBSEN, KW ;

NORSKOV, JK ;

MANNINEN, M .

PHYSICAL REVIEW LETTERS, 1991, 66 (17) :2219-2222

[8] THE ENERGETICS AND STRUCTURE OF NICKEL CLUSTERS - SIZE DEPENDENCE [J].

CLEVELAND, CL ;

LANDMAN, U .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (11) :7376-7396

[9]

DECRESCENZI M, 1987, SPRINGER SERIES MATE, V6

[10]

DEHEER WA, 1987, SOLID STATE PHYS, V40, P93