GaN-InN系统中的极化掺杂——第一性原理模拟

Polarization Doping in a GaN-InN System-Ab Initio Simulation.

作者信息

Ahmad Ashfaq, Strak Pawel, Kempisty Pawel, Sakowski Konrad, Piechota Jacek, Kangawa Yoshihiro, Grzegory Izabella, Leszczynski Michal, Zytkiewicz Zbigniew R, Muziol Grzegorz, Monroy Eva, Kaminska Agata, Krukowski Stanislaw

机构信息

Institute of High Pressure Physics, Polish Academy of Sciences, Sokolowska 29/37, 01-142 Warsaw, Poland.

Research Institute for Applied Mechanics, Kyushu University, Fukuoka 816-8580, Japan.

出版信息

Materials (Basel). 2023 Jan 31;16(3):1227. doi: 10.3390/ma16031227.

DOI:10.3390/ma16031227

PMID:36770233

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9920681/

Abstract

Polarization doping in a GaN-InN system with a graded composition layer was studied using ab initio simulations. The electric charge volume density in the graded concentration part was determined by spatial potential dependence. The emerging graded polarization charge was determined to show that it could be obtained from a polarization difference and the concentration slope. It was shown that the GaN-InN polarization difference is changed by piezoelectric effects. The polarization difference is in agreement with the earlier obtained data despite the relatively narrow bandgap for the simulated system. The hole generation may be applied in the design of blue and green laser and light-emitting diodes.

摘要

利用从头算模拟研究了具有渐变组成层的GaN-InN系统中的极化掺杂。渐变浓度部分的电荷体密度由空间电势依赖性确定。确定了新出现的渐变极化电荷，表明它可以从极化差和浓度斜率获得。结果表明，GaN-InN的极化差因压电效应而改变。尽管模拟系统的带隙相对较窄，但极化差与早期获得的数据一致。空穴产生可应用于蓝光和绿光激光器及发光二极管的设计。