First—principle Calculation of the Properties of Ti3SiC2
摘要
The electronic and structural properties for Ti3SiC2 were studied using the first-principle calculation method.By using the calculated band structure and density of states,the high electrical conductivity of Ti3SiC2 are explained ,The bonding character of Ti3SiC2 is analyzed in the map of charge density distribution.
引用本文（GB/T 7714）
DuanwenSHI, YanchunZHOU. First—principle Calculation of the Properties of Ti3SiC2[J]. Acta Scientiarum Naturalium Universitatis Sunyatseni, 2002.
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