| 反常弛豫的CuCI(110)表面电子态研究 |
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| 引用本文： | 徐小树,胡行,姚乾凯,魏英耐,贾瑜.反常弛豫的CuCI(110)表面电子态研究[J].郑州大学学报(理学版),2000,32(4):37-42. |
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| 作者姓名： | 徐小树 胡行 姚乾凯 魏英耐 贾瑜 |
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| 作者单位： | 1. 河南教育学院物理系，郑州 450003
2. 郑州大学物理工程学院，郑州 450052 |
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| 基金项目： | 河南省教委和河南省科委自然科学基金资助的课题． |
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| 摘 要： | 采用考虑d电子相互作用的spd紧束缚模型描述具有闪矿结构的半导体CuCl的体能带，用形势散射理论方法计算了弛豫的CuCl(110)表面电子结构，给出了表面投影能带结构和表面波矢分辨的层态密度．计算结果表明表面弛豫主要是表面层p-p和p-d的重新杂化而引起的．
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| 关 键 词： | 紧束缚模型 散射理论 弛豫 投影能带结构 态密度(110)表面 |
| 文章编号： | 1001-8212(2000)04-0037-06 |
| 修稿时间： | 2000年7月10日 |
Influence of Relaxation on Surface El ectronic States of CuCl (110) |
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| XU Xiao-shu,YAO Qian-kai,WEI Ying-nai,JlA Yu,HU Xing.Influence of Relaxation on Surface El ectronic States of CuCl (110)[J].Journal of Zhengzhou University:Natural Science Edition,2000,32(4):37-42. |
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| Authors: | XU Xiao-shu YAO Qian-kai WEI Ying-nai JlA Yu HU Xing |
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| Abstract: | The results of a theoretical study of the electronic structure of CuCl (110) surface are presented. The bulk electronic structure is described by the nearest-neighbor tight-binding formalism which proposed by Ferhat etc. Using the scattering-theoretic method, we have obtained the surface projected band structure together with the wavevector-resolved surface densities of states. The results show that the rehybridization between p-p and p-d electrons in the top two layers plays an important role in the relaxation. |
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| Keywords: | tight-binding model scattering-theoretic method surface projected band structure densities of states relaxation CuCl (110) surface |
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