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Effect of Pressure on the Band Structure of SiC
Numerical simulation based on LUC-INDO method is applied to study bulk modulus, hybridization state, band gap, high symmetry points, conduction and valence bandwidths, and valance charge density of cubic SiC under pressure.
The calculated properties are, in general, in good agreement with theoretical and available experimental values except the indirect band gap. The increase of pressure is predicted to cause; an increase of the cohesive energy, a linear increase of the indirect band gap with a pressure, a linear increase of the valence bandwidth, a decrease of the conduction bandwidth, and a slight decrease of the electronic occupation probability for the s-orbital and p-orbital of silicon with a slight increase of this probability for the s-orbital and p-orbital of carbon.
- وصف الــ Tags لهذا الموضوع
- pressure, band structure, silicon carbide
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