硼氮掺杂对锯齿型硅烯纳米带器件中自旋输运的调控  

Spin Transport Effects of Boron and Nitrogen Doping in Zigzag Silicene Nanoribbons Devices

作　　者：张丹 崔丽玲[1] 谭金桃 肖金 何军[1] 范志强[2] 罗小刚 ZHANG Dan;CUI Liling;TAN Jintao;XIAO Jin;HE Jun;FAN Zhiqiang;LUO Xiaogang(College of Science,Hunan University of Technology,Zhuzhou Hunan 412007,China;School of Physics and Electronic Science,Changsha University of Science and Technology,Changsha 410114,China;Shaoyang Yankoupu Junior Middle School,Shaoyang Hunan 422106,China)

机构地区：[1]湖南工业大学理学院,湖南株洲412007 [2]长沙理工大学物理与电子科学学院,湖南长沙410114 [3]邵阳县岩口铺镇初级中学,湖南邵阳422106

出　　处：《湖南工业大学学报》2020年第5期15-20,共6页Journal of Hunan University of Technology

基　　金：国家自然科学应急管理基金资助项目(11747095);国家自然科学基金资助项目(11704114);湖南省自然科学基金资助项目(2017JJ3063,2019JJ50125,2019JJ60067);湖南省教育厅科学研究基金资助项目(18C0500)

摘　　要：采用密度泛函理论和非平衡格林函数方法,研究了硼和氮原子单独掺杂对锯齿型硅烯纳米带器件中自旋输运行为的调控作用。研究发现硼和氮原子都是掺杂在锯齿型硅烯纳米带的边缘最稳定。硼和氮原子的掺杂区域对器件的自旋输运性质起着关键作用:当掺杂在器件的散射区时,可发现微小的自旋劈裂现象;但是当掺杂在电极区时,会出现较明显的自旋劈裂现象,相应的自旋过滤效率可高达100%。By adopting density functional theory(DFT)and non-equilibrium Green's function(NEGF)method,an investigation has been made of the effects of boron and nitrogen atoms doping on the spin transport behavior of zigzag silene nanoribbon devices.It is found that the boron and nitrogen atoms are the most stable doped on the edge of the zigzag silene nanoribbons,with the doping region of boron and nitrogen atoms playing a key role in the spin transport properties of the device.When doped in the scattering region of the device,tiny spin splitting can be found.However,when doped in the electrode regions,an obvious spin-splitting effect can be detected,with a corresponding spin filtration efficiency as high as 100%.

关 键 词：锯齿型硅烯纳米带器件 掺杂 第一性原理 自旋输运性质 自旋过滤效应 

分 类 号：O47[理学—半导体物理]