文献类型：期刊文献

英文题名：Intriguing electronic, optical and mechanical properties of the vertical and lateral heterostructures on the boron phosphide and GaN monolayers

作者：Wang, Yusheng[1,4];Wu, Xiaowei[2];Song, Nahong[3,4];Yang, Xiaohui[1];Zheng, Yafeng[3];Wang, Fei[4]

第一作者：Wang, Yusheng

通讯作者：Wang, YS[1];Wang, YS[2]

机构：[1]North China Univ Water Resources & Elect Power, Coll Phys & Elect, Zhengzhou 450046, Henan, Peoples R China;[2]Henan Coll Transportat, Sch Automobile, Zhengzhou 450005, Henan, Peoples R China;[3]Henan Univ Econ & Law, Coll Comp & Informat Engn, Zhengzhou 450000, Henan, Peoples R China;[4]Zhengzhou Univ, Sch Phys, Int Lab Quantum Funct Mat Henan, Zhengzhou 450001, Peoples R China

第一机构：North China Univ Water Resources & Elect Power, Coll Phys & Elect, Zhengzhou 450046, Henan, Peoples R China

通讯机构：[1]corresponding author), North China Univ Water Resources & Elect Power, Coll Phys & Elect, Zhengzhou 450046, Henan, Peoples R China;[2]corresponding author), Zhengzhou Univ, Sch Phys, Int Lab Quantum Funct Mat Henan, Zhengzhou 450001, Peoples R China.

年份：2021

卷号：56

期号：12

起止页码：7451-7463

外文期刊名：JOURNAL OF MATERIALS SCIENCE

收录：;EI(收录号：20210509858604);Scopus(收录号：2-s2.0-85100104618);WOS:【SCI-EXPANDED(收录号:WOS:000609395100004)】；

基金：The work was support by the National Natural Science Foundation of China (Grant No. 61841702), Funding scheme for young teachers in colleges and universities in Henan province (Grant No. 2017GGJS077).

语种：英文

外文关键词：Electric fields - Energy gap - Gallium nitride - Heterojunctions - Mechanical properties - Monolayers - Optical properties - Optoelectronic devices - Wide band gap semiconductors

摘要：Using the first-principles method, the structural, electronic, optical and mechanical properties of the vertical and lateral heterostructures based on the boron phosphide (BP) and GaN monolayers, named V-GaN@BP and L-GaN@BP, are investigated systematically. Our results revealed that the band structure of the V-GaN@BP is more sensitive than that of the L-GaN@BP to the strain and the external electric field (E-field). For the V-D-GaN@BP, with the E-field and strain, the band structure not only undergoes a fascinating direct-indirect and semiconductor-metal transition, but also experiences a transition from type-I to type-II. However, the L-NB-GaN@BP maintains a type-II semiconductor with an indirect band gap, though the band gaps can be strongly modulated by applied strain and the E-field. Moreover, the heterostructures are found to be mechanically stable presenting superior optical properties in the visible and UV light range. Consequently, we expect the GaN@BP heterostructures are novel architectures for the future development of efficient optoelectronic devices, due to the selective control of their bandgaps, the excellent optical and mechanical properties.