| Ab Initio Comparative Study of Zincblende and Wurtzite ZnO |
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| 作者姓名： | 张新宇 陈洲文 齐彦鹏 冯燕 赵亮 戚力 马明臻 刘日平 王文魁 |
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| 作者单位： | State Key Laboratory of Metastable Materials Science ＆ Technology, Yanshan University, Qinhuangdao 066004 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant No 50325103, and the National Basic Research Programme of China under Grant No 2005Ct3724404. |
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| 摘 要： |
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| 关 键 词： | 纤锌矿 氧化锌 半导体 电子量 |
| 收稿时间： | 2006-9-29 |
| 修稿时间： | 2006-09-29 |
Ab Initio Comparative Study of Zincblende and Wurtzite ZnO |
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| ZHANG Xin-Yu,CHEN Zhou-Wen,QI Yan-Peng,FENG Yan,ZHAO Liang,QI Li,MA Ming-Zhen,LIU Ri-Ping,WANG Wen-Kui.Ab Initio Comparative Study of Zincblende and Wurtzite ZnO[J].Chinese Physics Letters,2007,24(4):1032-1034. |
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| Authors: | ZHANG Xin-Yu CHEN Zhou-Wen QI Yan-Peng FENG Yan ZHAO Liang QI Li MA Ming-Zhen LIU Ri-Ping WANG Wen-Kui |
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| Institution: | State Key Laboratory of Metastable Materials Science & Technology, Yanshan University, Qinhuangdao 066004 |
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| Abstract: | By employing the first-principles pseudopotential plane-wave method, the physical properties of zincblende ZnO are investigated in comparison with those of the common wurtzite structure. Zincblende ZnO is predicted to be a direct gap semiconductor. Compared to the wurtzite structure, the zincblende ZnO is characterized by smaller bandgap and pressure coefficient, larger electron effective mass, increasing static dielectric constants and more covalent bonding. Furthermore, the optical properties including dielectric function and energy loss function of zincblende ZnO were obtained and analysed with some features. These aspects reveal promising applications of zincblende ZnO in optoelectronic devices. |
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| Keywords: | 71 15 Mb 73 61 Ga 78 20 -e |
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