Exploring electronic and optical properties of MoSeS/WSeS heterojunction under mechanical strain and electric field☆

作     者：Liu, Huaidong Yang, Lu Wang, Tianyun Wei, Xingbin Sun, Shihang Zhao, Yanshen 

作者机构：Shenyang Univ Technol Sch Architecture & Civil Engn Shenyang 110870 Peoples R China 

出 版 物：《PHYSICA B-CONDENSED MATTER》 (Phys B Condens Matter)

年 卷 期：2025年第700卷

核心收录：

学科分类：07[理学] 0702[理学-物理学] 

基　　金：National Natural Science Foundation of China, NSFC, (11102118) National Natural Science Foundation of China, NSFC Liaoning Province, (100010131) 

主　　题：Strain engineering Electric field Optoelectronic properties MoSeS/WSeS heterojunctions First-principles calculation 

摘      要：This study explores the effects of strain and electric fields on MoSeS/WSeS heterojunction optoelectronics using first principles. MoSeS/WSeS and MoSSe/WSSe exhibit type I behavior, which transforms to type II under a positive electric field, and the system tends to be metallized at 0.6 V/.MoSeS/WSSe exhibits a type II behavior, which transforms to type I under a negative field, and the positive field strengthens its type II character. These heterojunctions exhibit excellent dielectric and absorption properties in the visible-ultraviolet region. The strain and electric field can precisely control their optoelectronic properties and support the design of highperformance materials for optoelectronics.