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Chinese Physics, 2000, Vol. 9(9): 656-660    DOI: 10.1088/1009-1963/9/9/004
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

ELECTRONIC STRUCTURE OF CLUSTER-ASSEMBLED Al12C (Si) SOLID

Quan Hong-jun (全宏俊)abc, Gong Xin-gao (龚新高)a
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;  Department of Physics, Shaoguan University, Shaoguan 512005, China
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.
Keywords:  electronic structure      cluster-assembled solid  
Received:  27 December 1999      Revised:  16 April 2000      Accepted manuscript online: 
PACS:  61.46.Bc (Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate))  
  71.15.-m (Methods of electronic structure calculations)  
  73.22.-f (Electronic structure of nanoscale materials and related systems)  
Fund: 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.

Cite this article: 

Quan Hong-jun (全宏俊), Gong Xin-gao (龚新高) ELECTRONIC STRUCTURE OF CLUSTER-ASSEMBLED Al12C (Si) SOLID 2000 Chinese Physics 9 656

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