Cd和ZnO合金化对ZnO能带结构和p型掺杂的影响和机制

ZnO semiconductor is considered to be an ideal material for the preparation of UV light-emitting and laser diodes,however, some key scientific issues of p-type doping are not resolved, such as the existence of low acceptor doping concentration and high ionization, which impedes seriously the application and development of ZnO.Utilizing the effect of Cd with ZnO alloying on electronic structure and thermodynamic properties of ZnO,this project will carry out the research work of ZnO well layer the material ZnCdO film and the p-type doping taking magnetron sputtering and heat treatment technology ;Study the changes of ZnCdO crystal structure, crystal quality, the band gap and the band offset of the valence band maximum level relative to the ZnO with the Cd content,as well as the effect regularity and mechanisms of these changes on its optical and electrical properties,explore the methods and techniques of controlled growth of the high quality ZnCdO film; Carry out the study of preparation and photoelectric properties of Li, N-doped p-type ZnCdO,combining with the first principles calculations, explore the effect regularity and mechanisms of Cd with ZnO alloying on the acceptor doping concentration and the ionization energy, as well as the association with the valence band offset, prepare high efficiency and stable p-type ZnCdO;Design and prepare the LED of p-type ZnCdO as p layer, n-type ZnCdO as the active layer, explore the methods and techniques of preparing exciton recombination mainly, high light-emitting intensity and tunable wavelength LED.

ZnO半导体被认为是制备紫外发光和激光二极管的理想材料，但由于其p型掺杂存在着受主掺杂浓度低和离化能高的关键科学问题没有解决，严重地阻碍了ZnO的应用和发展。本项目利用Cd与ZnO合金化对ZnO电子结构和热力学性能的影响，采取磁控溅射和热处理技术开展ZnO阱层材料ZnCdO薄膜及其p型掺杂的研究工作；研究ZnCdO晶体结构、晶体质量、禁带宽度和价带顶能级相对ZnO的带偏移随Cd含量的变化，以及这些变化对其光电学性能的影响规律和机制，探索可控生长高质量ZnCdO薄膜的方法和技术；开展Li，N掺杂p型ZnCdO的制备和光电性能的研究，结合第一原理计算，探讨Cd与ZnO合金化对受主掺杂浓度和离化能的影响规律和机制，以及与价带偏移的关联，制备高效、稳定的p型ZnCdO；设计和制备以p型ZnCdO为p层，n型ZnCdO为有源层的LED，探索制备激子复合为主、发光强度高和波长可调LED的方法和技术。

ZnO半导体被认为是制备紫外发光和激光二极管的理想材料，但由于其p型掺杂存在着受主掺杂浓度低和离化能高的关键科学问题没有解决，严重地阻碍了ZnO的应用和发展。本项目利用Cd与ZnO合金化对ZnO电子结构和热力学性能的影响，采用磁控溅射和热处理技术开展ZnO阱层材料ZnCdO薄膜及其p型掺杂的研究工作；阐明了ZnCdO晶体结构、晶体质量、禁带宽度和价带顶能级相对ZnO的带偏移随Cd含量的变化，以及这些变化对其光电学性能的影响规律和机制；阐明了衬底温度、退火温度及溅射功率（PCd）对ZnCdO薄膜的晶体结构、光吸收、光致发光和带隙能量的影响规律及机制，优化实验条件制备出高质量的ZnCdO薄膜；首次利用射频磁控溅射结合后热处理技术制备出稳定，低电阻率，高载流子浓度，高迁移率的Na掺杂、N掺杂及Na-N共掺的p型ZnCdO薄膜。研究了Ar/O2气体流量比、退火温度、退火时间及Ar/N2气体流量比等对掺杂ZnCdO合金薄膜结构、光学及电学性能的影响规律及物理机制，弄清了各种掺杂p型ZnCdO薄膜中Cd含量对受主掺杂浓度和受主离化能的影响规律和机制，阐明了p型ZnCdO薄膜的导电机制。研究成果对p型ZnCdO的制备和应用，及ZnO基紫外LED制备和发光研究有重要的指导意义。