| β-SiC的电子结构和物态方程 |
| |
| 引用本文： | 谢元南. β-SiC的电子结构和物态方程[J]. 高压物理学报, 1994, 8(1) |
| |
| 作者姓名： | 谢元南 |
| |
| 作者单位： | 北京应用物理与计算数学研究所 |
| |
| 摘 要： | 给出了用LMTO-ASA方法计算的共价晶体β-SiC的电子结构和物态方程。其压缩比σ＝1.0~2.5。我们在维格纳－赛兹原胞中放入两个空球来模拟原子球的密堆积效果。结果表明，对于开结构体系晶体物性的计算，本方法也是适用的。
|
| 关 键 词： | 电子结构 物态方程 原子球 |
| 收稿时间： | 1993-09-17; |
Electronic Structure and EOS of β-SiC |
| |
| Xie Yuannan. Electronic Structure and EOS of β-SiC[J]. Chinese Journal of High Pressure Physics, 1994, 8(1) |
| |
| Authors: | Xie Yuannan |
| |
| Affiliation: | Beijing Instiatute of Apploed Physics and Computational Mathematics, Beijing 100088, China |
| |
| Abstract: | By using LMTO-ASA method, the computational results including electronic structure and EOS of covalent crystal β-SiC are presented. The compressibility ranges from 1.0 to 2.5. We put two empty spheres into WS sell to simulate compact-packed situation. It is shown that the used method is adapted for loose-packed crystal. |
| |
| Keywords: | electronic structure equation of state atomic sphere. |
| 本文献已被 CNKI 等数据库收录！ |
| 点击此处可从《高压物理学报》浏览原始摘要信息 |
