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
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)