应力对单层GaTe能带结构和迁移率影响的第一性原理研究  

First-principles Study on Effect of Strain on Band Structure and Mobility of Monolayered GaTe

作　　者：王嘉绮 汪礼胜[1] 姜豹 陈凤翔[1] 

机构地区：[1]武汉理工大学理学院,武汉430070

出　　处：《人工晶体学报》2018年第2期246-253,共8页Journal of Synthetic Crystals

基　　金：中央高校基本科研业务费专项资金(2015IA008);国家自然科学基金(51702245)

摘　　要：基于密度泛函理论的第一性原理计算分析了单层碲化镓(GaTe)能带结构和载流子迁移率随外加应力的变化。计算发现:载流子有效质量和迁移率随K点位置而不同,并且形变势对载流子迁移率影响很大;在单层GaTe的b轴或ab双轴上施加合适的压应力对能带结构的影响较为明显,可使其从间接带隙转变为直接带隙,并且带隙随着压应力的增加而逐渐减小;此外,施加ab双轴压应力更能提高载流子迁移率。因此,单层GaTe在应力调控下可作为制备高性能微纳电子器件的一种有前途的候选材料。Based on density functional theory, the effect of tensile and compressive strain on the band structure and carrier mobility of the monolayered hexagonal GaTe were investigated. The results show the carrier effective mass and mobility vary with the K point. The carrier mobility can be greatly changed by the deformation potential. While applying the compressive strain on b-direction or ab-direction of the monolayered GaTe, the band structure varies from indirect band to direct band and the band gap decreases with the increase of the strain. In addition, the carrier mobility can be significantly improved by the ab-direction compressive strain. Therefore, monolayered GaTe under stress control can be used as a promising candidate for the preparation of high-performance micro-nano electronic devices.

关 键 词：单层GaTe 能带结构 应力调控 迁移率 

分 类 号：O472[理学—半导体物理]