Diamond/c-BN van der Waals heterostructure with modulated electronic structures

作     者：贾素娜 李高贤 高楠 成绍恒 李红东 Su-Na Jia;Gao-Xian Li;Nan Gao;Shao-Heng Cheng;Hong-Dong Li

作者机构：State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun 130012China Shenzhen Research InstituteJilin UniversityShenzhen 518057China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2023年第32卷第7期

页      面：495-499页

核心收录：

学科分类：081702[工学-化学工艺] 07[理学] 070205[理学-凝聚态物理] 08[工学] 0817[工学-化学工程与技术] 0702[理学-物理学] 

基　　金：Project supported by the Key-Area Research and Development Program of Guangdong Province,China(Grant No.2020B0101690001) the National Natural Science Foundation of China(Grant Nos.51972135 and 52172044) 

主　　题：diamond cubic boron nitride heterointerface first principles calculation 

摘      要：The structural and electronic properties of(100),(110), and(111) diamond/cubic boron nitride(c-BN) heterostructures are systematically investigated by first principles calculation. The interface between diamond and c-BN shows the weak van der Waals interactions, which is confirmed by the interface distance and interface binding energy. The diamond/cBN structures are the direct bandgap semiconductors with moderate bandgap values ranging from 0.647 e V to 2.948 e *** work helps to promote the application of diamond in electronic and optoelectronic devices.