中国物理B ›› 2000, Vol. 9 ›› Issue (9): 656-660.doi: 10.1088/1009-1963/9/9/004

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ELECTRONIC STRUCTURE OF CLUSTER-ASSEMBLED Al12C (Si) SOLID

龚新高1, 全宏俊2   

  1. (1)Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China; (2)Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China; Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China; Department of Physics, Shaoguan University, Shaoguan 512005, China
  • 收稿日期:1999-12-27 修回日期:2000-04-16 出版日期:2000-09-15 发布日期:2005-06-10
  • 基金资助:
    Project supported in part by the National Natural Science Foundation of China (Grant Nos. 19874063 and 19925418), the National "Climbing" Program of China and the Chinese Academy of Sciences.

ELECTRONIC STRUCTURE OF CLUSTER-ASSEMBLED Al12C (Si) SOLID

Quan Hong-jun (全宏俊)abc, Gong Xin-gao (龚新高)a   

  1. a Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China;  b Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China;  c Department of Physics, Shaoguan University, Shaoguan 512005, China
  • Received:1999-12-27 Revised:2000-04-16 Online:2000-09-15 Published:2005-06-10
  • Supported by:
    Project supported in part by the National Natural Science Foundation of China (Grant Nos. 19874063 and 19925418), the National "Climbing" Program of China and the Chinese Academy of Sciences.

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摘要： The electronic structures of the cluster-assembled solid Al12C(Si) are studied by the ab initio method. We find that Al12C(Si) can solidify into a van der Waals solid. The electronic band structures show very weak dispersion. The main features in the electronic structure of cluster are retained in the solid, and an energy gap up to about 1.5 eV is observed for Al12C and Al12Si solids.

Abstract: The electronic structures of the cluster-assembled solid Al12C(Si) are studied by the ab initio method. We find that Al12C(Si) can solidify into a van der Waals solid. The electronic band structures show very weak dispersion. The main features in the electronic structure of cluster are retained in the solid, and an energy gap up to about 1.5 eV is observed for Al12C and Al12Si solids.

Key words: electronic structure, cluster-assembled solid

中图分类号:  (Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate))

  • 61.46.Bc
71.15.-m (Methods of electronic structure calculations) 73.22.-f (Electronic structure of nanoscale materials and related systems)