摘要
使用基于第一性原理的Materials Studio软件分别计算InSb、InSb_(0.75)S_(0.25)、InSb_(0.5)S_(0.5)的能带结构、态密度和光学性质,并对其进行分析比较。计算结果显示:S原子的掺入使InSb导带顶附近产生杂质能级,导带上移,禁带宽度增加,电子从价带跃迁进入导带的几率降低;随着掺杂S浓度的增加,静态介电常数减小,吸收强度降低,能量损失峰值降低。
The band structure,density of states,and optical properties of InSb,InSb_(0.75)S_(0.25) and InSb_(0.5)S_(0.5)were calculated and compared by using Materials Studio software based on first principles.The calculation results displayed that the doping of S element caused the impurity levels to be generated near the top of the conduction band in InSb,the conduction band moved up,the band gap increased,and the probability of electron transition from the valence band to conduction band decreased.As the concentration of doped S in InSb was increased,the static dielectric constant,the range of absorption spectrum,the absorption intensity,and the peak value of energy loss will be declined.
作者
韩玉娇
沈艳红
虞游
邓江
盛佳南
HAN Yujiao;SHEN Yanhong;YU You;DENG Jiang;SHENG Jianan(College of Optoelectronic Engineering,Chengdu University of Information Technology,Chengdu 610225,China)
出处
《成都信息工程大学学报》
2025年第1期107-110,共4页
Journal of Chengdu University of Information Technology
基金
四川省自然科学基金资助项目(2022NSFSC1796、2023ZHCG0047)。
关键词
锑化铟
第一性原理
掺杂
电子性质
光学性质
indium antimonide
first principles
doping
electronic properties
optical properties
