掺杂扶手型锡烯纳米带的电子结构及输运性质理论研究  

Theoretical studies on electronic and transport properties of doped armchair stanene nanoribbon

作　　者：陈颖 汤琪琪 何佳 李登峰 CHEN Ying;TANG Qiqi;HE Jia;LI Dengfeng(School of Science,Chongqing University of Posts and Telecommunications,Chongqing 410083,China)

机构地区：[1]重庆邮电大学理学院,重庆400065

出　　处：《功能材料》2018年第8期8150-8154,8160,共6页Journal of Functional Materials

基　　金：国家自然科学基金资助项目(11604035);重庆市研究生科研创新资助项目(CYS17228)

摘　　要：锡烯在拓扑超导和反常霍尔效应等方面具有出色的性能而受到关注,基于第一性原理和非平衡格林函数法,研究了边界氢钝化的扶手型锡烯纳米带(ASnNR)的P型掺杂和N型掺杂以及掺杂后体系的电输运,分析了不同掺杂体系的结合能、能带结构、态密度、透射谱和电导。基于稳定性以及电导等计算结果,认为掺Al和掺Cl的ASnNR能分别成为较优性能的P型和N型半导体。Stanene has been attracted extensive attentions due to its excellent physical properties and great potential application in nanoelectronic devices,such as topological superconductivity and quantum anomalous Hall effect.Based on the first-principles theory combined with non-equilibrium Green＇s function,the P-type and Ntype doping of the hydrogen-passivated armchair stanene nanoribbons（ASnNRs）and their electronic transport properties were investigated.The binding energy,band structure,density of states,transmission and electrical conductance were presented.The results show that the Al and Cl can be an effective P-type and N-type dopant,respectively.The results have great applications in stanene-based nanoelectronic devices.

关 键 词：非平衡格林函数法 锡烯纳米带 电输运 

分 类 号：TB34[一般工业技术—材料科学与工程]