摘要
单层二硒化钨(WSe_(2))是一种具有良好的热稳定性、电子运输和大面积可扩展性的优秀特性。基于密度泛函理论,利用第一性原理计算研究了稀土元素(La、Eu、Ho)掺杂单层WSe_(2)的结构、电学性质和光学性质。采用稀土元素(La、Eu、Ho)掺杂使单层WSe_(2)呈现P型导电传输特性,增强了导电性能,展现半金属特性。此外,La、Eu、Ho掺杂后,提高了单层WSe_(2)在红外光区的光探测能力和对可见光的利用率,在深紫外区域也具有应用潜力。研究结果证明了La、Eu、Ho掺杂单层WSe_(2)的电学性质、光学性质和扩大其应用方面的重要性。
Monolayer tungsten selenide(WSe_(2)) is an excellent characteristic with good thermal stability,electronic transport,and large-scale scalability.This article is based on density functional theory and uses first principles calculations to study the structure,electrical properties,and optical properties of rare earth element(La,Eu,Ho) doped monolayer WSe_(2).Doping with rare earth elements(La,Eu,Ho) results in a P-type conductive transmission characteristic of monolayer WSe_(2),enhancing its conductivity and exhibiting semi metallic properties.In addition,doping with La,Eu,and Ho improves the light detection ability and visible light utilization of monolayer WSe_(2) in the infrared region,and has potential applications in the deep ultraviolet region.The research results demonstrate the importance of La,Eu,Ho doped monolayer WSe_(2) in terms of electrical and optical properties,as well as expanding its applications.
作者
姜冠戈
江玉琪
郭祥
丁召
JIANG Gange;JIANG Yuqi;GUO Xiang;DING Zhao(College of Big Data and Information Engineering,Guizhou University,Guiyang 550025,China;Key Laboratory of Micro-Electronics and Software Technology of Guizhou Province,Guiyang 550025,China;Power Semiconductor Device Reliability Engineering Center of the Ministry of Education,Guiyang 550025,China)
出处
《功能材料》
CAS
CSCD
北大核心
2024年第2期2155-2160,2167,共7页
Journal of Functional Materials
基金
国家自然科学基金(61564002,11664005)
贵州省科学技术基金项目(黔科合基础[2020]1Y271)
贵州大学培育项目(贵大培育[2019]58号)
半导体功率器件可靠性教育部研究中心开放基金(ERCME-KFJJ2019-(07))。
关键词
单层二硒化钨
第一性原理计算
掺杂
光学性质
monolayer tungsten selenide
first principle
doped
optical properties
