会议专题

First-principle calculations of the electronic structure and elastic constants of Arsenic doped β-SiC

The electronic structure and elastic constants of arsenic doped β-SiC have been studied by first principles density functional theory (DFT) calculations. The band structure, bulk modulus, and density of states were calculated. We have demonstrated that both the top of the valence and the bottom of the conduction band shift to lower energy levels. However, arsenic doped β-SiC exhibits a non-monotonic variation of the band gap and bulk modulus with the concentration of As.

Zongguo Wang Qun Hui Nanpu Cheng Zhiqian Chen Chuilin Wang

School of Materials Science and Engineering, Southwest University, Chongqing, 400715, China China Center of Advanced Science and Technology, P.O.Box8730, Beijing, 100080, China

国际会议

The 6th International Conference on Physical and Numerical Simulation of Materials Processing(第六届材料与热加工物理模拟及数值模拟国际学术会议 ICPNS 2010)

桂林

英文

1-6

2010-11-16(万方平台首次上网日期,不代表论文的发表时间)