A graphene/Janus B2P6 heterostructure with a controllable Schottky barrier via interlayer distance and electric field

Literature Information

Publication Date 2023-11-13
DOI 10.1039/D3CP03732K
Impact Factor 3.676
Authors

Tian Xie, Youyou Guo, Gang Yuan, JiaJun Liao, Nan Ma, Chuyun Huang


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Abstract

Lowering the Schottky barrier at the metal–semiconductor interface remains a stern challenge in the field of field-effect transistors. Herein, an in-depth investigation was conducted to explore the formation mechanism of the Schottky barrier via interlayer distance and external electric field, utilizing the first-principles approach. Attributed to the vertical asymmetric structure of B2P6, ohmic contact forms at the interface of a graphene/B2P6(001) heterostructure, and an n-type Schottky contact with a Schottky barrier of 0.51 eV forms at the interface of a graphene/B2P6(00) heterostructure. Furthermore, the Schottky barrier height and the contact type can be changed by adjusting the interlayer spacing or applying an electric field along the Z direction. A high carrier concentration of 4.65 × 1013 cm−2 is obtained in the graphene/B2P6(001) heterostructure when an external electric field of 0.05 V Å−1 is applied. Verifiably, alterations in the energy band structure are attributed to the redistribution of charges at the interface. The new findings indicate that GR/B2P6 heterostructures are a key candidate for next-generation Schottky field-effect transistor development.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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