锯齿型GeSe纳米带的边缘态对整流效应的调控研究
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摘要:
锯齿型硒化锗(ZGeSeNR)是准一维纳米结构的材料,由于其具有特殊的维度特性及优异的电子特性而成为研究热点.本研究使用密度泛函理论和非平衡格林函数结合的方法,系统地研究了边缘结构对锯齿形硒化锗纳米带的电子结构及输运性质的影响.能带结构图显示边缘裸露的ZGeSeNR、P和S原子钝化边缘的ZGeSeNR具有导电的金属性质,用F,Cl,H原子和OH-根离子钝化处理边缘后的ZGeSeNR则表现出半导体性质.基于不同边缘结构的ZGeSeNR构建金属-半导体界面的两电极器件模型,计算出的器件电压-电流曲线证实了边缘态对整流效应的调控作用.特别是裸露-H原子钝化的锯齿型GeSe纳米带(H-ZGeSeNR)器件中的整流比可达到8.7×105.改变该器件结构中散射区内钝化原子的数目来调控整流特性,最高可得到1.1×107的整流比.研究结果对设计ZGeSeNR纳米整流器提供了重要参考.
Zigzag germanium selenide(ZGeSeNR)nanoribbons are quasi-one-dimensional nanostructured materials that are hotly debated because of their exceptional dimensional properties and excellent electronic properties.In this paper,the effect of edge structure on the electronic structure and transport properties of serrated germanium selenide nanoribbons in a systematic way is investigated by busing a combination of density general function theory and nonequilibrium Green's functions.The energy band structure illustrates that ZGeSeNR with bare edges,ZGeSeNR with P and S atoms passivated on the edges have metallic properties that are conductive,while ZGeSeNR with edges passivated with F,Cl,H atoms and OH-ions exhibit semiconducting properties.A two-electrode device model for the metal-semiconductor interface is constructed based on ZGeSeNR with different edge structures,and the calculated voltage-current curves of the device confirm the modulating effect of the edge states on the rectification effect.In particular,rectification ratios of up to 8.7×105can be achieved in sawtooth GeSe nanoribbon(H-ZGeSeNR)devices with bare-H atomic passivation.By varying the number of passivated atoms in the scattering region of the device structure,a rectification ratio of up to 1.1×107 can be obtained.This provides an important reference for the design of ZGeSeNR nano-rectifiers.
作者:
王芳 张亚君 郭彩霞 王天兴 郝首亮
Wang Fang;Zhang Yajun;Guo Caixia;Wang Tianxing;Hao Shouliang(College of Electronic and Electric Engineering,Henan Normal University,Xinxiang 453007,China;Henan Key Laboratory of Optoelectronic Sensing Integrated Application,Henan Normal University,Xinxiang 453007,China;Henan Engineering Laboratory of Additive Intelligent Manufacturing,Henan Normal University,Xinxiang 453007,China;School of Physics,Henan Normal University,Xinxiang 453007,China)
机构地区:
betway官方app 电子与电气工程学院
引用本文:
《betway官方app 学报(自然科学版)》 CAS 2024年第1期108-115,共8页
Journal of Henan Normal University(Natural Science Edition)
基金:
国家自然科学基金(62075057,62075058) 河南省青年自然科学基金(212300410185) 河南省高等学校重点科研项目(21A510005)。
关键词:
ZGeSe纳米带 边缘钝化 整流效应 电子输运
zigzag germanium selenide nanoribbon edge passivation rectification electronic transport
分类号:
O488 [理学—固体物理]
