Ab initio calculation of titanium silicon carbide

被引：93

作者：

Sun, ZM ^{[1
]}

Zhou, YC ^{[1
]}

机构：

[1] Chinese Acad Sci, Inst Met Res, Ceram & Composite Dept, Shenyang 110015, Peoples R China

来源：

PHYSICAL REVIEW B | 1999年 / 60卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.60.1441

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure and properties of the layered ceramic Ti3SiC2 have been examined by ab initio linear combination of atomic orbital calculations. With the calculated results we predict that the electronic conductivity of Ti3SiC2 is metallic and anisotropic. The major factors governing the electronic properties are hybridized Ti 3d, Si 3p, and C 2p states and the p-d bonding stabilizes the structure. [S0163-1829(99)12127-1].

引用

页码：1441 / 1443

页数：3