Al-N共掺SnO_2材料电子结构和光学性质  

Aluminum and Nitrogen Co-doping Effects on the Electrical Structure and Optical Properties of SnO_2

作　　者：徐帅 杨平[1] XU Shuai;YANG Ping(School of Mechanical Engineering,Jiangsu University,Zhenjiang 212013,China)

机构地区：[1]江苏大学机械工程学院,江苏镇江212013

出　　处：《电子科技》2018年第12期47-51,共5页Electronic Science and Technology

基　　金：国家自然科学基金(61076098)

摘　　要：采用基于第一性原理的局域密度近似方法研究了Al-N共掺SnO_2中不同N掺杂位置模型的电子结构和光学性质。掺杂Al或N元素后呈p型导电并且带隙拓宽,最大值可达到1. 748 e V; N元素引入了杂质能级,使得可见光区的介电函数虚部ε2(ω)增加,进而提高了低能区的吸收系数和吸收边发生了红移,反射率也增强。The electrical structure and optical properties of SnO2 with ditterent doping position were investigated by the first principles with the local - density approximation. Al or N doping SnO2 systems displayed p - type conduc- tivity and the hand gap was broadened and reached to max value of 1. 748eV. Moreover, the appeared impurity levels induced by N element resulted in the enhanced conductivity, ε2（ω） and the consequent increment of the absorption and reflectivity in the low energy region, of which the absorption all moved to lower energy direction （ red shift） and fromed a larger spectral peak.

关 键 词：第一性原理 局域密度近似 电子结构 光学性质 杂质能级 红移 

分 类 号：TN304[电子电信—物理电子学]