Tunable electronic properties and Schottky barrier in a graphene/WSe2 heterostructure under out-of-plane strain and an electric field

文献信息

发布日期 2020-09-22

DOI 10.1039/D0CP04160B

影响因子 3.676

作者

Guoqiang Hao, Xiaojun Ye, Shangpeng Gao, Hongbo Li

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摘要

Tuning the electrical transport behavior and reducing the Schottky barrier height of nanoelectronic devices remain a great challenge. To solve this issue, the electronic properties and Schottky barrier of the graphene/WSe2 heterostructure are investigated by the first-principles method under out-of-plane strain and an electric field. Our results show that the WSe2 monolayer and graphene could form a stable van der Waals heterostructure and the intrinsic electronic properties are well preserved. Furthermore, a transformation of a Schottky contact from the n-type to p-type occurs at d = 3.87 Å and E = +0.06 V Å−1. In addition, an ohmic contact is formed with E = −0.50, ±0.60 V Å−1. Lastly, the effective masses of electrons and holes are calculated to be 0.057m0 and −0.055m0 at the equilibrium state, respectively, indicating that the heterostructure has a high carrier mobility. Our research will provide promising approaches for the future design and development of graphene/WSe2 nano-field effect transistors.

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来源期刊

Physical Chemistry Chemical Physics

CiteScore: 5.5

自引率: 10.3%

年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.