| 纤锌矿结构ZnO中定位Ga-N共掺杂对p型掺杂效率的影响 |
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| 引用本文： | 周昌杰,康俊勇.纤锌矿结构ZnO中定位Ga-N共掺杂对p型掺杂效率的影响[J].发光学报,2006,27(6):917-921. |
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| 作者姓名： | 周昌杰 康俊勇 |
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| 作者单位： | 厦门大学物理系, 半导体光子学研究中心, 福建, 厦门, 361005 |
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| 基金项目： | 国家自然科学基金(60376015, 90206030, 60336020, 10134030)，国家“973”计划(001CB610505)，福建省科技计划(2004H054, E0410007)资助项目 |
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| 摘 要： | 采用第一性原理和密度泛函理论的方法,计算未掺杂、N单掺杂和Ga-N共掺杂纤锌矿结构ZnO的总能、电荷密度和能带结构.总能计算表明,Ga原子的共掺杂使总能极大地降低,从而显著提高杂质N原子在ZnO中的稳定性.电荷密度分布显示,总能的降低主要是Ga-N共掺杂后Ga原子的3d态和N原子的2p态电子之间的强杂化相互作用所致.特别是在Ga原子的负电荷和N原子的正电荷沿c轴排成一线的共掺杂构型中,较大的局域极化场的变化引起价带顶向禁带中的大分裂,降低了N受主的激活能,将空穴的浓度提高了三个量级,有效地提高p型掺杂效率.
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| 关 键 词： | 氧化锌 p型掺杂 能带结构 |
| 文章编号： | 1000-7032（2006）06-0917-05 |
| 收稿时间： | 2005-12-20 |
| 修稿时间： | 2005-12-202006-03-03 |
Effects of Site-selective Ga-N Codoping on p-type Doping Efficiency of Wurtzite ZnO |
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| ZHOU Chang-jie,KANG Jun-yong.Effects of Site-selective Ga-N Codoping on p-type Doping Efficiency of Wurtzite ZnO[J].Chinese Journal of Luminescence,2006,27(6):917-921. |
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| Authors: | ZHOU Chang-jie KANG Jun-yong |
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| Institution: | Department of Physics and Semiconductor Photonics Research Center, Xiamen University, Xiamen 361005, China |
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| Abstract: | ZnO has become a promising material for ultraviolet light emitting diodes and lasers, transparent high power electronic devices dut to their wide direct band gap and large exciton binding energy. Undoped ZnO exhibits intrinsic n-type conductivity, and it is, therefore, difficult to achieve p-type ZnO. Among group-V dopants, N is considered to be a shallow p-type impurity; however, there are stillmany difficulties forusingN as dopan.t Recently, much efforthas been devoted to fabricate p-type ZnO with codopants. So it is important to understand the codoping effecton electronic structures of wurtzite ZnO. |
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| Keywords: | ZnO p-type doping band structure |
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