高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (9): 1468.

• 研究简报 • 上一篇    下一篇

硅锗混合团簇GemSin(m+n≤10)的非正交紧束缚模型研究

李思殿1,2, 金志浩1   

  1. 1. 西安交通大学材料科学院, 西安 710049;
    2. 太原师范学院化学系, 太原 030001
  • 收稿日期:1999-08-01 出版日期:2000-09-24 发布日期:2000-09-24
  • 通讯作者: 李思殿(1959年出生),男,硕士,教授,从事结构和材料化学研究,现为西安交通大学博士研究生.
  • 基金资助:

    山西省自然科学基金(批准号:971017);山西省回国留学人员基金资助

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

LI Si-Dian1,2, JIN Zhi-Hao1   

  1. 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

关键词: GemSin混合团簇, 非正交紧束缚模型, 结构, 结合能

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

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

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