| ZnS(110)表面原子几何与电子特性的计算 |
| |
| 引用本文： | 申三国,贾 瑜,马丙现,范希庆.ZnS(110)表面原子几何与电子特性的计算[J].物理学报,1998,47(11):1879-1884. |
| |
| 作者姓名： | 申三国 贾 瑜 马丙现 范希庆 |
| |
| 作者单位： | 郑州大学物理工程学院,郑州 450052 |
| |
| 基金项目： | 河南省自然科学基金(批准号：94050200）资助的课题. |
| |
| 摘 要： | 用总能量最小方法，确定了ZnS(110)表面的原子几何结构，得到与弹性低能电子衍射实验相符的结果．利用格林函数的散射理论方法，计算了题ZnS(110)表面的电子结构，与第一性原理的计算结果进行了比较．讨论了晶格弛豫对表面电子特性的影响．
关键词：
|
| 关 键 词： | 半导体 硫化锌 （110）表面 原子几何结构 |
| 收稿时间： | 1998-01-19 |
CALCULATION OF THE ATOMIC GEOMETRIES AND ELECTRONIC PROPERTIES OF ZnS (110) SURFACE |
| |
| XHEN SAN-GUO,JIA YU,MA BING-XIAN and FAN XI-QING.CALCULATION OF THE ATOMIC GEOMETRIES AND ELECTRONIC PROPERTIES OF ZnS (110) SURFACE[J].Acta Physica Sinica,1998,47(11):1879-1884. |
| |
| Authors: | XHEN SAN-GUO JIA YU MA BING-XIAN and FAN XI-QING |
| |
| Abstract: | The total-energy minimization method is applied to the determination of the surface structure of the ZnS(110) surface. The predicted surface atomic geometry agrees well with that obtained from elastic low-energy electron diffraction intensity analysis. The electronic structure of ZnS(110) surface has been studied by using the method of Green's function scattering theory. Our results are eonsis-tent with the first principle calculations, and the influence of lattice relaxation on surface electronic properties are 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 |
