物理学报2012，Vol.61Issue(15)：434-440,7.
表面效应对Li掺杂的ZnO薄膜材料p型电导的影响
The surface effect on the p-type conductivity of Li-doped ZnO film
摘要
Abstract
＋By using the first-principles method,we study the relative stabilities and the thermal ionization energies of the doped Li（LiZn） in the different atomic layers for both the non-polar and polar surfaces.Our calculations indicate that the LiZn in the surface region is more stable than in the ZnO bulk,and the thermal ionization energy of the LiZn in the surface region is considerably bigger than in the ZnO bulk.So,the surface of ZnO film degrades the p-type conductivity of the Li-doped film significantly,which is important for the p-type doping in the low-dimensional ZnO system.Furthermore,we find that the observed difference in thermal ionization energy of LiZn between a surface and bulk actually stems from the different distributions of the electrostatic potentials between a surface and bulk.关键词
第一性原理/ZnO表面/p型导电性/热离化能级Key words
the first-principles/ZnO surfaces/p-type conductivity/thermal ionization energy分类
数理科学引用本文复制引用
司杭,何海燕,潘必才..表面效应对Li掺杂的ZnO薄膜材料p型电导的影响[J].物理学报,2012,61(15):434-440,7.基金项目
高等学校博士学科点专项科研基金 （）
国家自然科学基金（批准号：2009CB939901）资助的课题 （）
