| Comparisons of ZnO codoped by group ⅢA elements （Al,Ga, In） and N： a first-principle study |
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| 引用本文： | 李平,邓胜华,张莉,余江应,刘果红.Comparisons of ZnO codoped by group ⅢA elements （Al,Ga, In） and N： a first-principle study[J].中国物理 B,2010(11):528-535. |
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| 作者姓名： | 李平 邓胜华 张莉 余江应 刘果红 |
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| 作者单位： | [1]Department of Mathematics and Physics, Anhui University of Architecture, Hefei 230022, China [2]School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, China |
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| 基金项目： | Project supported by the Special Foundation for Young Scientists of Anhui Province, China （Grant No. 2009SQRZ097ZD） and the Foundation of Anhui University of Architecture （Grant No. 20070601）. |
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| 摘 要： | The electronic structures and effective masses of the N mono-doped and Al N, Ga-N, In-N codoped ZnO system have been calculated by a first-principle method, and comparisons among different doping cases are made. According to the results, the impurity states in the codoping cases are more delocalised compared to the N mono-doping case, which means a better conductive behaviour can be obtained by codoping. Besides, compared to the Al-N and Ga-N codoping cases, the hole effective mass of In-N codoped system is much smaller, indicating the p-type conductivity can be more enhanced by In N codoping
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| 关 键 词： | 共掺杂 第一原理 氧化锌 元素 铝 第一性原理 电子结构 导电行为 |
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