摘要
Van der Waals(vdW)layered two-dimensional(2D)materials,which may have high carrier mobility,valley polarization,excellent mechanical properties and air stability,have been widely investigated before.We explore the possibility of producing a spin-polarized two-dimensional electron gas(2DEG)in the heterojunction composed of insulators MoSi_(2)N_(4)and VSi_(2)N_(4)by using first-principles calculations.Due to the charge transfer effect,the 2DEG at the interface of the MoSi_(2)N_(4)/VSi_(2)N_(4)heterojunction is found.Further,for different kinds of stacking of heterojunctions,lattice strain and electric fields can effectively tune the electronic structures and lead to metal-to-semiconductor transition.Under compressive strain or electric field parallel to c axis,the 2DEG disappears and band gap opening occurs.On the contrary,interlayer electron transfer enforces the system to become metallic under the condition of tensile strain or electric field anti-parallel to c axis.These changes are mainly attributed to electronic redistribution and orbitals’reconstruction.In addition,we reveal that MoSi_(2)N_(4)/VSi_(2)N_(4)lateral heterojunctions of armchair and zigzag edges exhibit different electronic properties,such as a large band gap semiconductor and a metallic state.Our findings provide insights into electronic band engineering of MoSi_(2)N_(4)/VSi_(2)N_(4)heterojunctions and pave the way for future spintronics applications.
作者
Ruiling Gao
Chao Liu
Le Fang
Bixia Yao
Wei Wu
Qiling Xiao
Shunbo Hu
Yu Liu
Heng Gao
Shixun Cao
Guangsheng Song
Xiangjian Meng
Xiaoshuang Chen
Wei Ren
高瑞灵;刘超;方乐;姚碧霞;吴伟;肖祁陵;胡顺波;刘禹;高恒;曹世勋;宋广生;孟祥建;陈效双;任伟(Physics Department,State Key Laboratory of Advanced Special Steel,Materials Genome Institute,Shanghai Key Laboratory of High Temperature Superconductors,International Center of Quantum and Molecular Structures,Shanghai University,Shanghai 200444,China;Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials(Ministry of Education),Anhui University of Technology,Maanshan 243002,China;State Key Laboratory of Surface Physics and Department of Physics,Fudan University,Shanghai 200433,China;State Key Laboratory of Infrared Physics,Shanghai Institute of Technical Physics,Chinese Academy of Sciences,Shanghai 200083,China)
基金
supported by the National Natural Science Foundation of China(Grant Nos.12074241,52130204,and 11929401)
the Science and Technology Commission of Shanghai Municipality(Grant Nos.22XD1400900,20501130600,21JC1402600,and 22YF1413300)
High Performance Computing Center,Shanghai University
Key Research Project of Zhejiang Lab(Grant No.2021PE0AC02)
the supports from the open projects of Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials(Anhui University of Technology),Ministry of Education(Grant No.GFST2022KF08)
State Key Laboratory of Surface Physics(Fudan University)(Grant No.KF202210)
State Key Laboratory of Infrared Physics,Shanghai Institute of Technical Physics,Chinese Academy of Sciences(Grant No.SITP-NLIST-YB-2022-08)
the support of China Scholarship Council。
