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Acta Physica Sinica (Overseas Edition), 1995, Vol. 4(11): 834-841    DOI: 10.1088/1004-423X/4/11/006
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

BAND STRUCTURES OF Si-C AND Si-C-Ge ALLOYS

XIE JIAN-JUN (谢建军), ZHANG KAI-MING (张开明)
Department of Physics, Fudan University, Shanghai 200433, China
Abstract  Band structures of Si-C and Si-C-Ge alloys are calculated by using the ab initio LMTO (linear muffin-tin orbital) method within the framework of atomic-sphere approximation. The effects of different atomic configuration and lattice relaxation on the band structure of alloys are taken into account. The results show that for large concentrations of C in Si and Si-Ge, the band gap increases monotonically, while for small concentrations of C in Si and Si-Ge, the band gap shrinks. The lattice relaxation further reduces the band gap. The possible explanations for the reduction of band gap of Si-C and Si-C-Ge alloya are presented.
Received:  24 November 1994      Accepted manuscript online: 
PACS:  71.20.Nr (Semiconductor compounds)  
  71.15.Ap (Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.))  
Fund: project supported by the National Natural Science Foundation of China.

Cite this article: 

XIE JIAN-JUN (谢建军), ZHANG KAI-MING (张开明) BAND STRUCTURES OF Si-C AND Si-C-Ge ALLOYS 1995 Acta Physica Sinica (Overseas Edition) 4 834

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