Tunable Electronic Properties and Giant Spontaneous Polarization in Graphene/Monolayer GeS van der Waals Heterostructure

Wang，Qianjin1,2; Tan，Qiuhong1,2; Liu，Yingkai1,2; Qing，Chen1,2; Feng，Xiaobo1,2; Yu，Dapeng3

2019

10.1002/pssb.201900194

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS   影响因子和分区

0370-1972

1521-3951

Van der Waals (vdW) heterostructures consisting of two-dimensional-layered nanomaterials have attracted great attention due to their promising applications in novel electronic and optoelectronic devices. Using density functional theory (DFT) with the vdW correlations (DFT-D), the electronic properties and spontaneous polarization of graphene/monolayer GeS (G/MGeS) heterostructure have been investigated. It is found that the properties of both graphene and GeS are preserved in the vdW heterostructure, and the electronic structure of the heterostructure is advantageous for improving photocatalytic efficiency. Moreover, it is also found that the position of the band structure of GeS with respect to that of graphene can be tuned by altering the interlayer spacing, which further led to the control of the Schottky barrier height of the vdW heterostructures. Additionally, the vdW heterostructure shows increased spontaneous polarization (186.6 μC cm) as well as increased energy barrier heights, which indicate the enhanced ferroelectricity in the heterostructure. Further investigation demonstrates that the compressive strain can have a significant impact on both the spontaneous polarization and the energy barrier height of the vdW heterostructure.

2D-layered nanomaterials density functional theory electronic structure heterostructures Schottky barrier height spontaneous polarization

SCI ; EI

英语

其他

National Natural Science Foundation of China[11864046] ; National Natural Science Foundation of China[61564010] ; National Natural Science Foundation of China[11764046] ; National Natural Science Foundation of China[11847117] ; National Natural Science Foundation of China[11764047]

Physics

Physics, Condensed Matter

WOS:000503261600026

WILEY-V C H VERLAG GMBH

PHYSICS

2-s2.0-85067700570

Scopus

1.College of Physics and Electronic InformationYunnan Normal University,Kunming,650500,China
2.Yunnan Provincial Key Laboratory for Photoelectric Information TechnologyYunnan Normal University,Kunming,650500,China
3.Institute for Quantum Science and Engineering and Department of PhysicsSouthern University of Science and Technology,Shenzhen,518055,China

Wang，Qianjin,Tan，Qiuhong,Liu，Yingkai,et al. Tunable Electronic Properties and Giant Spontaneous Polarization in Graphene/Monolayer GeS van der Waals Heterostructure[J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,2019,256(11).

Wang，Qianjin,Tan，Qiuhong,Liu，Yingkai,Qing，Chen,Feng，Xiaobo,&Yu，Dapeng.(2019).Tunable Electronic Properties and Giant Spontaneous Polarization in Graphene/Monolayer GeS van der Waals Heterostructure.PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,256(11).

Wang，Qianjin,et al."Tunable Electronic Properties and Giant Spontaneous Polarization in Graphene/Monolayer GeS van der Waals Heterostructure".PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 256.11(2019).