外加静电场辅助生长p型掺杂氧化锌的理论与实验研究

ZnO is a very promising material for semiconductor device applications. However, the main hurdle to making zinc oxide devices has been getting stable, reliable p-type material with an excess of holes, or electron deficiencies. So far, many works have been doing by domestic and abroad experts and scholars on this issue, and lots of significant gains have been obtained for paving the way for the development of ZnO materials. Despite this, they haven’t given a full solution for solving the thorny problem. . Base on prophase survey and lots of theoretical calculations by density functional theory (DFT) method, we propose for the first time a method to obtain p-type ZnO materials, which is to add an external electric field in ZnO crystal growing stage. The extra electric field would reduce the formation energy of substitutional dopants to increase the doping concentration. Our preliminary calculation results based on first principle shows that external electric field is helpful for reducing the formation energy of substitutional impurity atoms, and the formation energy decreased gradually with the increasing of the electric field. This could be a persuasive evidence of the feasibility of the project under application. This work would be carried out in practical and calculation methods, which are not only mutually premise, but also are testified. We expect that with this project we could push forward the study of p-type ZnO further and figure out a reliable method to prepare high doping concentration and stable p-type ZnO semiconductor materials.

ZnO是一种重要的光电材料，如何实现稳定性好、掺杂浓度高的p型ZnO（p-ZnO）材料是其器件化应用的最大障碍。本项目基于大量调研、实验和理论模拟工作，首次提出采用外加静电场来降低受主缺陷形成能，改善p-ZnO时间稳定性和掺杂浓度的技术方案。. 项目拟首先利用第一性原理模拟静电场对p-ZnO能带、原子/电子分布、态密度、缺陷存在状态及其形成能的影响，探索最佳静电场条件；进而采用脉冲激光沉积/激光烧蚀化学气相沉积（PLD/LACVD）技术，对比研究有无静电场辅助生长p-ZnO多晶薄膜/纳米线的生长行为，并结合变温Hall、变温荧光光谱、ZnO薄膜/纳米同质结器件I-V测试等p型掺杂表征手段，探索静电场在掺杂中的作用，旨在发展一种制备时间稳定性好的p-ZnO材料的新方法；实验规律与理论计算结合，最终阐明静电场降低ZnO中受主缺陷形成能、改善其p型掺杂品质的物理机制。

ZnO是一种重要的光电材料，有效解决其稳定性，得到掺杂浓度高的p型ZnO（p-ZnO）材料是其器件化的有效手段。本项目通过实验和理论模拟工作，采用外加静电场来降低受主缺陷形成能，改善p-ZnO时间稳定性和掺杂浓度，进行了一系列关于设备改造和ZnO P型掺杂有益的研究工作。. 项目首先利用第一性原理模拟静电场对p-ZnO能带、原子/电子分布、态密度、缺陷存在状态及其形成能的影响，探索最佳静电场条件；进而采用脉冲激光沉积/激光烧蚀化学气相沉积（PLD/LACVD）技术，对比研究有无静电场辅助生长p-ZnO多晶薄膜/纳米线的生长行为并对实验结果进行分析，得到了静电场掺杂降低P型掺杂缺陷形成能的有益条件，并且提出了一种在气相环境下纳米材料空间线状形核长大的晶体生长机理，我们采用脉冲激光辐照退火方法制备出了性能良好的仅含有一种杂质原子的同质氧化锌PN结。