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| ZnO及其缺陷电子结构对光谱特性的影响 | |
| 引用本文： | 徐彭寿,孙玉明,施朝淑,徐法强,潘海斌.ZnO及其缺陷电子结构对光谱特性的影响[J].红外与毫米波学报,2002,21(Z1):91-96. |
| 作者姓名： | 徐彭寿 孙玉明 施朝淑 徐法强 潘海斌 |
| 作者单位： | 1. 中国科技大学结构分析开放实验室,安徽,合肥,230026;中国科技大学国家同步辐射实验室,安徽,合肥,230026 2. 中国科技大学国家同步辐射实验室,安徽,合肥,230026 3. 中国科技大学国家同步辐射实验室,安徽,合肥,230026;中国科技大学物理系,安徽,合肥,230026 |
| 基金项目： | 国家自然科学基金(批准号59872037及19874057)资助项目 |
| 摘 要： | 利用全势LMTO(FP-LMTO)理论计算方法,对ZnO中的某些缔合缺陷(如氧空位和锌填隙、锌填隙和锌空位及锌的氧反位缺陷)的电子结构进行了计算.根据本文和以前的计算结果,得到了ZnO中几种本征点缺陷对应的缺陷态能级位置.利用得到的理论计算结果,我们分析了ZnO的吸收和发射光谱可能产生的机制,并讨论了ZnO与缺陷电子结构对它们的影响. |
| 关 键 词： | ZnO 缺陷 电子结构 光谱. |
| 修稿时间： | 2001年6月12日 |
EFFECTS OF THE ELECTRONIC STRUCTURE OF ZnO AND ITS DEFECTS ON THE SPECTRAL PROPERTIES |
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| XU Peng-Shou,SUN Yu-Ming,SHI Chao-Shu,XU Fa-Qiang,PAN Hai-Bin.EFFECTS OF THE ELECTRONIC STRUCTURE OF ZnO AND ITS DEFECTS ON THE SPECTRAL PROPERTIES[J].Journal of Infrared and Millimeter Waves,2002,21(Z1):91-96. | |
| Authors: | XU Peng-Shou SUN Yu-Ming SHI Chao-Shu XU Fa-Qiang PAN Hai-Bin |
| Abstract: | The electronic structures of complex of the intrinsic point defects of ZnO were calculated using full potential linear Muff in-tin orbital (FP-LMTO) method, which include Vo Zni, VznZni and Ozn. According to the calculation data obtained this time and before, the positions of the intrinsic point defect state levels were determined in the energy band of ZnO. Based on these results, the mechanism of the absorption and emission spectra of ZnO was analyzed and the effects of the electronic structures of complete ZnO and its defects on the spectral properties were discussed. |
| Keywords: | ZnO defect electronic structure spectrum |
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