基于锌空位调控的N掺杂p型ZnO导电特性及稳定性研究

要实现ZnO在短波长光电子器件的应用，关键是制备出优质的p型ZnO。然而， 目前人们对p型ZnO的受主微观形态及其形成过程，还没有清晰的认识，获得p型ZnO的导电特性及稳定性也不能满足器件的要求。最新理论研究指出N掺杂ZnO的空穴载流子可能来自受主复合体No-VZn，但还不被国际同行广泛认可。前期工作中，我们发现N离子注入能在ZnO中同时生成No和VZn，而且在一定退火下它们可能结成稳定的复合体。本项目旨在前期工作基础上，采用N离子注入富氧ZnO薄膜/ZnO单晶，通过优化N离子注入参数(能量、剂量)和退火（温度、时间、气氛）等实验条件有效调控促进No-VZn的形成并减少本征施主缺陷及杂质的补偿效应，结合第一性原理计算，深入研究受主复合体No-VZn的形成及其对p-ZnO导电特性及稳定性的影响机制。为澄清N掺杂p型ZnO的导电机理，制备高性能、稳定的p-ZnO提供有效途径和重要参考。

ZnO has potential applications in short wavelength optoelectronic devices, the key challenge for it is widely been used is to prepare good quality p-type ZnO. However, till now, the microstructure of the acceptors and their forming process in p-type ZnO have not been understood clearly by researchers, and the conductivity and stability of the prepared p-type ZnO cannot meet the requirements of the devices. The latest theoretical calculation indicates that the hole carriers of N doped ZnO might origin from the acceptor No–VZn complex, but it is not widely recognized by the peers. In our previous works, we found that N implantation can effectively produce N acceptors and VZn defects simultaneously in ZnO, and they could form complexes with good stability upon certain annealing condition. In this project, on the basis of our previous works, we use N+ ions implant into oxygen-enriched ZnO thin film and/or ZnO single crystal, by optimizing the N implantation parameters (energy, dose ) and annealing conditions (temperature, time, ambience) on experiments, the formation of acceptor No–VZn complex can be well regulated and meanwhile the compensation effect of donor defects can be reduced effectively. By combining with the experiments and first principles calculation, the formation mechanism of the acceptor No-VZn complex and its effect on the conductivity and the stability of N doped p-type ZnO are systematically studied. The aim in this project is to clarify the conductive mechanism of p-type ZnO by N doping, and provide an important reference and effective way for the fabrication of good quality and high stability of p-type ZnO.