Transition from direct band gap to indirect band gap in fluorinated carbon

被引:42
作者
Takagi, Y [1 ]
Kusakabe, K [1 ]
机构
[1] Niigata Univ, Grad Sch Sci & Technol, Ikarashi 9502181, Japan
关键词
D O I
10.1103/PhysRevB.65.121103
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We studied phase stability, structural properties, and electronic band structures of graphite fluorides CnF (n=1,2,...,6) using density-functional theory with local density approximation. The calculation shows that CnF with sp(3) bonding has a direct gap, when n=1 or 2. Even though CnF with n>2 has not been identified experimentally, our calculation predicts that they become an indirect gap semiconductor.
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页码:1 / 4
页数:4
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