A Nonorthogonal Tight-binding Study of Silicon-Germanium Mixed Clusters GemSin(m+n≤10)

Chem. J. Chinese Universities ›› 2000, Vol. 21 ›› Issue (9): 1468.

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A Nonorthogonal Tight-binding Study of Silicon-Germanium Mixed Clusters Ge_mSi_n(m+n≤10)

LI Si-Dian^1,2, JIN Zhi-Hao¹

1. College of Material Science, Xi'an Jiaotong University, Xi'an 710049, China;
2. Department of Chemistry, Taiyuan Teachers' College, Taiyuan 030001, China

Received:1999-08-01 Online:2000-09-24 Published:2000-09-24

Abstract

Abstract: The geometrical structures and binding energies of Ge_mSi_n mixed clusters(s=m+n≤10) have been optimized based upon the nonorthogonal tight-binding scheme. Ge_mSi_n mixed clusters are found similar in structures with Si_n and Ge_n(but with lower symmetries) and the binding energies of the mixed clusters are between the corresponding values of the Si_n and Ge_n.

Key words: Ge_mSi_nmixed cluster, Nonorthogonal tight-binding scheme, Structures, Binding energies

CLC Number:

O641

TrendMD:

LI Si-Dian, JIN Zhi-Hao . A Nonorthogonal Tight-binding Study of Silicon-Germanium Mixed Clusters Ge_mSi_n(m+n≤10)[J]. Chem. J. Chinese Universities, 2000, 21(9): 1468.

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A Nonorthogonal Tight-binding Study of Silicon-Germanium Mixed Clusters Ge_mSi_n(m+n≤10)

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