双轴应变对NbSe_(2)/MoSi_(2)N_(4)肖特基势垒的调控  

Modilation of the NbSe_(2)/MoSi_(2)N_(4) Schottky-junction barrier by biaxial strain

作　　者：张宇哲 安梦雅 谢泉 ZHANG Yu-Zhe;AN Meng-Ya;XIE Quan(College of Big Data and Information Engineering,Institude of New Optoelectronic Materials and Technology,Guizhou University,Guiyang 550025,China)

机构地区：[1]贵州大学大数据与信息工程学院新型光电子材料与技术研究所,贵阳550025

出　　处：《原子与分子物理学报》2025年第5期182-188,共7页Journal of Atomic and Molecular Physics

基　　金：贵州大学智能制造产教融合创新平台及研究生联合培养基地项目(2020-520000-83-01-324061);国家自然科学基金(61264004);贵州省高层次创新型人才培养项目(黔科合人才(20154015))。

摘　　要：最近一种高质量的二维(Two-dimensional,2D)半导体材料MoSi_(2)N_(4)(MSN)在实验上被成功合成,具有优异的电气和机械性能.尽管最近有大量的研究致力于揭示MSN的材料特性,但到目前为止,对MSN的电接触物理特性的探索还比较少.在这项工作中,构建了金属-半导体NbSe_(2)/MSN肖特基结并使用第一性原理密度泛函理论计算研究了该肖特基结的材料特性.发现NbSe_(2)/MSN接触具有超低肖特基势垒高度(Schottky barrier height,SBH),这有利于纳米电子学应用.SBH可以通过施加双轴应变的方式进行有效的调控.当施加拉伸应变时能实现NbSe_(2)/MSN肖特基结由p型肖特基接触转变为p型欧姆接触,而当施加较大的压缩应变时能实现p型肖特基接触和n型肖特基接触之间的转换.我们的研究结果为MSN的2D电触点的物理特性提供了见解,并将为设计基于MSN的2D纳米器件的高性能电触点提供关键的一步.Recently,a high-quality two-dimensional(2D)semiconductor material MoSi_(2)N_(4)(MSN)has been successfully synthesized experimentally,which has excellent electrical and mechanical properties.Although there has been a great deal of recent research devoted to revealing the material properties of MSN,until now there has been relatively little exploration of the electrical contact physics of MSN.In this work,metal-semiconductor NbSe_(2)/MSN Schottky junction is constructed,and the material properties of the Schottky junction are investigated using first-principles density functional theory.This findings reveal that NbSe_(2)/MSN contacts exhibit an extremely low Schottky barrier height(SBH),which is advantageous for nanoelectronics applications.The SBH can be effectively regulated by applying biaxial strain.Specifically,the NbSe_(2)/MSN Schottky junction can transition from a P-type Schottky contact to a P-type ohmic contact when tensile strain is applied,and the transition between a P-type Schottky contact and an N-type Schottky contact can be achieved with larger compressive strain.Our findings provide insights into the physical properties of MSN's 2D electrical contacts and will provide a critical step towards designing high-performance electrical contacts for MSN-based 2D nanodevices.

关 键 词：MoSi_(2)N_(4) NbSe_(2) 肖特基结 欧姆接触 

分 类 号：O65[理学—分析化学]