Ab initiocalculation of titanium silicon carbide
- 15 July 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 60 (3) , 1441-1443
- https://doi.org/10.1103/physrevb.60.1441
Abstract
The electronic structure and properties of the layered ceramic have been examined by ab initio linear combination of atomic orbital calculations. With the calculated results we predict that the electronic conductivity of is metallic and anisotropic. The major factors governing the electronic properties are hybridized Ti Si and C states and the bonding stabilizes the structure.
Keywords
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