STRUCTURE OF SMALL GALLIUM CLUSTERS

被引：32

作者：

GONG, XG

TOSATTI, E

机构：

[1] ACAD SINICA,INT CTR MAT PHYS,SHENYANG 110015,PEOPLES R CHINA

[2] SCUOLA INT SUPER STUDI AVANZATI,I-34014 TRIESTE,ITALY

来源：

PHYSICS LETTERS A | 1992年 / 166卷 / 5-6期

关键词：

D O I：

10.1016/0375-9601(92)90725-2

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The structures of Ga(n) (n less-than-or-equal-to 8) clusters have been studied by an ab initio molecular-dynamics method and a simulated annealing technique. With increasing the cluster size, we find transitions from planar to nonplanar structures at n = 5. The building blocks of gallium clusters are the Ga2 molecule and the zig-zag chain, which exist in the alpha-Ga and meta-stable beta-Ga solid phase respectively.

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收藏

页码：369 / 372

页数：4

相关论文

共 18 条

[1] ELECTRONIC STATES OF GA-2 [J].

BALASUBRAMANIAN, K .

JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (26) :6786-6790

[2] EQUILIBRIUM STRUCTURES AND FINITE TEMPERATURE PROPERTIES OF SILICON MICROCLUSTERS FROM ABINITIO MOLECULAR-DYNAMICS CALCULATIONS [J].

BALLONE, P ;

ANDREONI, W ;

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1988, 60 (04) :271-274

[3] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474

[4] RAMAN-SPECTRA OF MATRIX-ISOLATED GROUP IIIA DIMERS - GA-2, IN-2, TL-2 [J].

FROBEN, FW ;

SCHULZE, W ;

KLOSS, U .

CHEMICAL PHYSICS LETTERS, 1983, 99 (5-6) :500-502

[5]

GONG X., PREPRINT

[6]

GONG X, UNPUB

[7] ALPHA-GALLIUM - A METALLIC MOLECULAR-CRYSTAL [J].

GONG, XG ;

CHIAROTTI, GL ;

PARRINELLO, M ;

TOSATTI, E .

PHYSICAL REVIEW B, 1991, 43 (17) :14277-14280

[8]

GONG XG, IN PRESS

[9]

Heine V., 1970, Solid state physics: advances in research and applications, P249, DOI 10.1016/S0081-1947(08)60071-5

[10] STRUCTURE AND BONDING IN SMALL ALUMINUM CLUSTERS [J].

JONES, RO .

PHYSICAL REVIEW LETTERS, 1991, 67 (02) :224-227