Tuning the Schottky contacts in the phosphorene and graphene heterostructure by applying strain

Literature Information

Publication Date 2016-06-28
DOI 10.1039/C6CP03903K
Impact Factor 3.676
Authors

Biao Liu, Li-Juan Wu, Yu-Qing Zhao, Lin-Zhi Wang


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Abstract

The structures and electronic properties of the phosphorene and graphene heterostructure are investigated by density functional calculations using the hybrid Heyd–Scuseria–Ernzerhof (HSE) functional. The results show that the intrinsic properties of phosphorene and graphene are preserved due to the weak van der Waals contact. But the electronic properties of the Schottky contacts in the phosphorene and graphene heterostructure can be tuned from p-type to n-type by the in-plane compressive strains from −2% to −4%. After analyzing the total band structure and density of states of P atom orbitals, we find that the Schottky barrier height (SBH) is determined by the P-pz orbitals. What is more, the variation of the work function of the phosphorene monolayer and the graphene electrode and the Fermi level shift are the nature of the transition of Schottky barrier from n-type Schottky contact to p-type Schottky contact in the phosphorene and graphene heterostructure under different in-plane strains. We speculate that these are general results of tuning of the electronic properties of the Schottky contacts in the phosphorene and graphene heterostructure by controlling the in-plane compressive strains to obtain a promising method to design and fabricate a phosphorene–graphene based field effect transistor.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 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.

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