Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contacts

Abstract In recent years, the two-dimensional (2D) semiconductor α-In2Se3 has great potential for applications in the fields of electronics and optoelectronics due to its spontaneous iron electrolysis properties. Through ab initio electronic structure calculations and quantum transport simulations,...

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Main Authors: Sha Han, Cai-Juan Xia, Min Li, Xu-Mei Zhao, Guo-Qing Zhang, Lian-Bi Li, Yao-Heng Su, Qing-Long Fang
Format: Article
Language:English
Published: Nature Portfolio 2023-11-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-46514-0
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author Sha Han
Cai-Juan Xia
Min Li
Xu-Mei Zhao
Guo-Qing Zhang
Lian-Bi Li
Yao-Heng Su
Qing-Long Fang
author_facet Sha Han
Cai-Juan Xia
Min Li
Xu-Mei Zhao
Guo-Qing Zhang
Lian-Bi Li
Yao-Heng Su
Qing-Long Fang
author_sort Sha Han
collection DOAJ
description Abstract In recent years, the two-dimensional (2D) semiconductor α-In2Se3 has great potential for applications in the fields of electronics and optoelectronics due to its spontaneous iron electrolysis properties. Through ab initio electronic structure calculations and quantum transport simulations, the interface properties and transport properties of α-In2Se3/Au contacts with different polarization directions are studied, and a two-dimensional α-In2Se3 asymmetric metal contact design is proposed. When α-In2Se3 is polarized upward, it forms an n-type Schottky contact with Au. While when α-In2Se3 is polarized downward, it forms a p-type Schottky contact with Au. More importantly, significant rectification effect is found in the asymmetric Au/α-In2Se3/Au field-effect transistor. The carrier transports under positive and negative bias voltages are found to be dominated by thermionic excitation and tunneling, respectively. These findings provide guidance for the further design of 2D α-In2Se3-based transistors.
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spelling doaj.art-828ac3dde222434084f0b592a688dea02023-11-12T12:13:23ZengNature PortfolioScientific Reports2045-23222023-11-011311810.1038/s41598-023-46514-0Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contactsSha Han0Cai-Juan Xia1Min Li2Xu-Mei Zhao3Guo-Qing Zhang4Lian-Bi Li5Yao-Heng Su6Qing-Long Fang7School of Science, Xi’an Polytechnic UniversitySchool of Science, Xi’an Polytechnic UniversitySchool of Science, Xi’an Polytechnic UniversitySchool of Science, Xi’an Polytechnic UniversitySchool of Science, Xi’an Polytechnic UniversitySchool of Science, Xi’an Polytechnic UniversitySchool of Science, Xi’an Polytechnic UniversitySchool of Science, Xi’an Polytechnic UniversityAbstract In recent years, the two-dimensional (2D) semiconductor α-In2Se3 has great potential for applications in the fields of electronics and optoelectronics due to its spontaneous iron electrolysis properties. Through ab initio electronic structure calculations and quantum transport simulations, the interface properties and transport properties of α-In2Se3/Au contacts with different polarization directions are studied, and a two-dimensional α-In2Se3 asymmetric metal contact design is proposed. When α-In2Se3 is polarized upward, it forms an n-type Schottky contact with Au. While when α-In2Se3 is polarized downward, it forms a p-type Schottky contact with Au. More importantly, significant rectification effect is found in the asymmetric Au/α-In2Se3/Au field-effect transistor. The carrier transports under positive and negative bias voltages are found to be dominated by thermionic excitation and tunneling, respectively. These findings provide guidance for the further design of 2D α-In2Se3-based transistors.https://doi.org/10.1038/s41598-023-46514-0
spellingShingle Sha Han
Cai-Juan Xia
Min Li
Xu-Mei Zhao
Guo-Qing Zhang
Lian-Bi Li
Yao-Heng Su
Qing-Long Fang
Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contacts
Scientific Reports
title Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contacts
title_full Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contacts
title_fullStr Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contacts
title_full_unstemmed Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contacts
title_short Interfacial electronic states and self-formed asymmetric Schottky contacts in polar α-In2Se3/Au contacts
title_sort interfacial electronic states and self formed asymmetric schottky contacts in polar α in2se3 au contacts
url https://doi.org/10.1038/s41598-023-46514-0
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