钒边缘修饰扶手椅型硅烯纳米带中的自旋输运  

Spin transport in edge passivated armchair silicene nanoribbons by vanadium

作　　者：王宝成 王雪峰[1] 姚阿龙 陈程[1] 戴烨斌 WANG Baocheng;WANG Xuefeng;YAO Along;CHEN Cheng;DAI Yebin(College of Physics,Optoelectronics and Energy of Soochow University,Suzhou 215006,China)

机构地区：[1]苏州大学物理与光电能源学部,江苏苏州215006

出　　处：《苏州科技大学学报（自然科学版）》2018年第1期39-43,49,共6页Journal of Suzhou University of Science and Technology（Natural Science Edition）

基　　金：国家自然科学基金资助项目(91121021)

摘　　要：利用结合密度泛函理论和非平衡格林函数方法的第一性原理模拟计算,系统地研究了边缘钒原子钝化的扶手椅型硅烯纳米带(ASi NR)的自旋输运性质。采用过渡金属钒和卤族氟原子对ASi NR边缘进行修饰,设计了三种新型的晶体结构。通过构造相应的两极器件系统并计算模拟出不同电极磁化构型下的电子透射谱,发现它们都具有自旋过滤和巨磁电阻效应。此外,在电极反铁磁构型(AFM)下,温度处于-223≤T≤-123℃时,其中一个系统表现出较好的自旋热电效应。Employing the first-principles simulations combining the density functional theory and the non-equilibrium Green's function method,we studied spin transport properties of edge passivated armchair silicene nanoribbon(ASiNR)by vanadium atoms.Using transition metal vanadium and halogen fluorine atoms to functionalize ASiNR on edge,we designed three kinds of novel crystal structures.Establishing the corresponding two-terminal device systems and simulating the electronic transmission spectrum in different configurations of electrode magnetization,we found that spin filtering and giant magnetoresistance effects appear in all of them.In addition,significant spin Seebeck effects are realized in one of the systems with antiferromagnetic configuration in the temperature range between-223and-123℃.

关 键 词：扶手椅型硅烯纳米带 过渡金属边缘修饰 自旋过滤 巨磁电阻 自旋热电效应 

分 类 号：O472[理学—半导体物理]