Modulation of the electronic properties of blue phosphorene/stanene heterostructures by electric field and interlayer distance

被引:11
作者
Chen, Jingjin [1 ]
Ma, Kexin [1 ]
Xiao, Jianrong [1 ]
Xu, Liang [2 ]
Dai, Xueqiong [1 ]
Wang, Zhiyong [1 ]
机构
[1] Guilin Univ Technol, Coll Sci, Guilin 541008, Peoples R China
[2] Jiangxi Univ Sci & Technol, Energy Mat Comp Ctr, Sch Energy & Mech Engn, Nanchang 330013, Jiangxi, Peoples R China
基金
中国国家自然科学基金;
关键词
Stanene; Blue phosphorene; Heterostructure; TOTAL-ENERGY CALCULATIONS; AB-INITIO; OPTICAL-PROPERTIES; BORON-NITRIDE; GRAPHENE; MOLECULES; STRAIN; GROWTH; LAYERS; BLACK;
D O I
10.1016/j.rinp.2022.105252
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Two-dimensional (2D) materials of perpendicular integration have recently emerged, which can be used to design novel electronic and optoelectronic devices. The heterostructures composed of stanene and blue phosphorene are investigated, the band structures and electronic properties of stanene/blue phosphorene are explored by using the First-principle calculation. It can be found that tuning the interlayer distance between stanene and blue phosphorene can effectively modulate the electronic structure of stanene/blue phosphorene heterostructures. The results show that the intrinsic electronic properties of stanene and blue phosphorene are well preserved in the unconstrained bilayers. Vertical positive and negative electric fields are applied in the heterostructure with electric fields between-0.6 and 0.7 V/angstrom, and the band gap increases with electric fields increasing. When in-plane biaxial tensile strain is applied, the band gap value increases with strain value increasing. The maximum band gap value is obtained at about strain 4%. When compressive strain is applied, the band gap decreases with the increase of the electric field and transforms to metallic at about strain-3%. The present work provides an effective way to tune the electronic structure and band gap of the stanene/blue phosphorene bilayer.
引用
收藏
页数:7
相关论文
共 56 条
[1]   Production of few-layer phosphorene by liquid exfoliation of black phosphorus [J].
Brent, Jack R. ;
Savjani, Nicky ;
Lewis, Edward A. ;
Haigh, Sarah J. ;
Lewis, David J. ;
O'Brien, Paul .
CHEMICAL COMMUNICATIONS, 2014, 50 (87) :13338-13341
[2]   Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections [J].
Bucko, Tomas ;
Hafner, Juergen ;
Lebegue, Sebastien ;
Angyan, Janos G. .
JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (43) :11814-11824
[3]   Tunable electronic properties and optical properties of novel stanene/ZnO heterostructure: First-principles calculation [J].
Cao, Hanxing ;
Zhou, Zhaobo ;
Zhou, Xiaolong ;
Cao, Jianchun .
COMPUTATIONAL MATERIALS SCIENCE, 2017, 139 :179-184
[4]   Synthesis of Large-Area Graphene Layers on Poly-Nickel Substrate by Chemical Vapor Deposition: Wrinkle Formation [J].
Chae, Seung Jin ;
Guenes, Fethullah ;
Kim, Ki Kang ;
Kim, Eun Sung ;
Han, Gang Hee ;
Kim, Soo Min ;
Shin, Hyeon-Jin ;
Yoon, Seon-Mi ;
Choi, Jae-Young ;
Park, Min Ho ;
Yang, Cheol Woong ;
Pribat, Didier ;
Lee, Young Hee .
ADVANCED MATERIALS, 2009, 21 (22) :2328-+
[5]   Ab Initio Study of the Adsorption of Small Molecules on Stanene [J].
Chen, Xianping ;
Tan, Chunjian ;
Yang, Qun ;
Meng, Ruishen ;
Liang, Qiuhua ;
Cai, Miao ;
Zhang, Shengli ;
Jiang, Junke .
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (26) :13987-13994
[6]   Electronic structure and optical properties of graphene/stanene heterobilayer [J].
Chen, Xianping ;
Meng, Ruishen ;
Jiang, Junke ;
Liang, Qiuhua ;
Yang, Qun ;
Tan, Chunjian ;
Sun, Xiang ;
Zhang, Shengli ;
Ren, Tianling .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (24) :16302-16309
[7]   Lateral heterostructures of monolayer group-IV monochalcogenides: band alignment and electronic properties [J].
Cheng, Kai ;
Guo, Yu ;
Han, Nannan ;
Su, Yan ;
Zhang, Junfeng ;
Zhao, Jijun .
JOURNAL OF MATERIALS CHEMISTRY C, 2017, 5 (15) :3788-3795
[8]   Structural, Electronic, and Magnetic Properties of Adatom Adsorptions on Black and Blue Phosphorene: A First-Principles Study [J].
Ding, Yi ;
Wang, Yanli .
JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (19) :10610-10622
[9]   Van der Waals density functional for general geometries -: art. no. 246401 [J].
Dion, M ;
Rydberg, H ;
Schröder, E ;
Langreth, DC ;
Lundqvist, BI .
PHYSICAL REVIEW LETTERS, 2004, 92 (24) :246401-1
[10]   First-principles investigation of armchair stanene nanoribbons [J].
Fadaie, M. ;
Shahtahmassebi, N. ;
Roknabad, M. R. ;
Gulseren, O. .
PHYSICS LETTERS A, 2018, 382 (04) :180-185