MOLECULAR-ORBITAL STUDY OF GERMANIUM, GERMANIUM-GALLIUM AND GERMANIUM-ARSENIC CLUSTERS

被引：4

作者：

BOCA, R ^{[1
]}

HAJKO, P ^{[1
]}

BENCO, L ^{[1
]}

机构：

[1] SLOVAK ACAD SCI, INST INORGAN CHEM, CS-84235 BRATISLAVA, CZECHOSLOVAKIA

来源：

CZECHOSLOVAK JOURNAL OF PHYSICS | 1992年 / 42卷 / 07期

关键词：

D O I：

10.1007/BF01598729

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The quasirelativistic INDO/1 method has been used to generate molecular orbitals for some {Ge(x)}, doped {GexGay} and {GexAsy} clusters. These one-electron energy levels predefine the density of states (DOS) and/or hole functions. The effect of the cluster size (x = 24, 56, 92) and that of dopants on the DOS profiles are discussed. The calculations are compared with those generated by periodic crystal orbitals of the EHT quality.

引用

页码：685 / 694

页数：10

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