物理学报2011，Vol.60Issue(4)：564-569,6.
Al高掺杂浓度对ZnO导电性能影响的第一性原理研究
Frist principles study of effect of high Al doping concentration of p-type ZnO on electric conductivity performance
摘要
Abstract
We optimize the geometric structure and calculate total densities of states, band structures, the relative number of electrons and mobility ratios of electrons of ZnO mode established at different concentrations of Al, in the condition of high concentration of Al heavily doped ZnO semiconductor at low temperature, by adopting the ab-initio study of plane wave ultra-soft pseudo potential technique based on the density function theory (DFT). It is found that the relative number of electrons increases, but the mobility ratio of electrons of ZnO decreases, with the concentration of Al increasing. On the contrary, the lower the Al doping concentration, the stronger the conductivity of ZnOis. The conductivity is compared. We can draw a conclusion that the conductivity of ZnO semiconductor decreases with A1 doping concentration increasing. The calculation results are consistent with the change trend of experiments with Al concentrations exceeding o. z, i. e. , x ≥ 0. 02.关键词
Al高掺ZnO/电导率/浓度/第一性原理Key words
Al heavily doped in ZnO/ conductivity/ concentration/ first principle引用本文复制引用
侯清玉,赵春旺,李继军,王钢..Al高掺杂浓度对ZnO导电性能影响的第一性原理研究[J].物理学报,2011,60(4):564-569,6.基金项目
国家自然科学基金(批准号:11062008),内蒙古自治区高等学校科学技术研究项目(批准号:NJ10073)内蒙古工业大学科学研究计划(批准号:ZD200916),内蒙古自然科学基金(批准号:2010MS0801)资助的课题. （批准号:11062008）
