STRUCTURAL STABILITY AND ENERGETICS OF SI4 ISOMERS - TOTAL ELECTRONIC-ENERGY CALCULATION

被引：4

作者：

KATIRCIOGLU, S

ERKOC, S

机构：

[1] Department of Physics, Middle East Technical University

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 184卷 / 1-3期

关键词：

D O I：

10.1016/0009-2614(91)87174-A

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structural stability and energetics of Si4 isomers have been investigated by using an empirical tight-binding (ETB) method. It has been found that the most stable Si4 microcluster is an exact tetrahedron with T(d) symmetry.

引用

页码：118 / 120

页数：3

共 7 条

[1]

ERKOC S, 1991, Z PHYSIK D

[2] INTERATOMIC POTENTIALS WITH MULTI-BODY INTERACTIONS [J].

HALICIOGLU, T ;

PAMUK, HO ;

ERKOC, S .

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1988, 149 (01) :81-92

[3] SILICON AND GERMANIUM CLUSTERS - A THEORETICAL-STUDY OF THEIR ELECTRONIC-STRUCTURES AND PROPERTIES [J].

PACCHIONI, G ;

KOUTECKY, J .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (06) :3301-3310

[4]

PAPACONSTANTOPO.DA, 1986, HDB BAND STRUCTURE E

[5] BONDING AND STRUCTURES IN SILICON CLUSTERS - A VALENCE-BOND INTERPRETATION [J].

PATTERSON, CH ;

MESSMER, RP .

PHYSICAL REVIEW B, 1990, 42 (12) :7530-7555

[6] SIMPLIFIED LCAO METHOD FOR THE PERIODIC POTENTIAL PROBLEM [J].

SLATER, JC ;

KOSTER, GF .

PHYSICAL REVIEW, 1954, 94 (06) :1498-1524

[7] STRUCTURE AND BONDING OF SMALL SEMICONDUCTOR CLUSTERS [J].

TOMANEK, D ;

SCHLUTER, MA .

PHYSICAL REVIEW B, 1987, 36 (02) :1208-1217

← 1 →