Physical Review B
The electronic structure and properties of the layered ceramic Ti(3)SiC(2) have been examined by ab initio linear combination of atomic orbital calculations. With the calculated results we predict that the electronic conductivity of Ti(3)SiC(2) 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].
关键词:
ti3sic2
