| 固态镓的电子结构 |
| |
| 引用本文： | 龚新高.固态镓的电子结构[J].物理学报,1993,42(4):617-625. |
| |
| 作者姓名： | 龚新高 |
| |
| 作者单位： | 中国科学院固体物理研究所,合肥230031 |
| |
| 摘 要： | 本文采用第一性原理分子动力学方法,在让原子得到充分弛豫后,计算了固体镓的电子结构。结果与实验相符合。通过计算总能随体积的变化,讨论了零温下固体镓的相稳定性。结果表明在α-Ga中,最近邻原子之间存在共价性从而导致电阻各向异性,而镓的其它相均为良好的金属。
关键词：
|
| 关 键 词： | 镓 电子结构 总能 相稳定性 |
| 收稿时间： | 7/8/1992 12:00:00 AM |
ELECTRONIC STRUCTURES OF SOLID GALLIUM |
| |
| GONG XIN-GAO.ELECTRONIC STRUCTURES OF SOLID GALLIUM[J].Acta Physica Sinica,1993,42(4):617-625. |
| |
| Authors: | GONG XIN-GAO |
| |
| Abstract: | The electronic structures of solid gallium have been calculated by ab-initio moleculardyna-mics, the results are good in agreement with experiments. The results show that β-Ga, Ga-Ⅱ, fcc-Ga are metallic-like, but in α-Ga there is a covalent bond existing between the nearest neighbours. The phase stability of solid gallium has been also discussed. |
| |
| Keywords: | |
| 本文献已被 CNKI 维普 等数据库收录！ |
| 点击此处可从《物理学报》浏览原始摘要信息 |
| 点击此处可从《物理学报》下载免费的PDF全文 |
|
