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TaS/MoS和TaS/WSe异质结构中可调谐的接触类型和界面电子特性

Tunable Contact Types and Interfacial Electronic Properties in TaS/MoS and TaS/WSe Heterostructures.

作者信息

Zhu Xiangjiu, Jiang Hongxing, Zhang Yukai, Wang Dandan, Fan Lin, Chen Yanli, Qu Xin, Yang Lihua, Liu Yang

机构信息

Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Key Laboratory of Preparation and Application of Environmental Friendly Materials, College of Physics, Jilin Normal University, Changchun 130103, China.

出版信息

Molecules. 2023 Jul 24;28(14):5607. doi: 10.3390/molecules28145607.

DOI:10.3390/molecules28145607
PMID:37513478
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10385421/
Abstract

Following the successful experimental synthesis of single-layer metallic 1T-TaS and semiconducting 2H-MoS, 2H-WSe, we perform a first-principles study to investigate the electronic and interfacial features of metal/semiconductor 1T-TaS/2H-MoS and 1T-TaS/2H-WSe van der Waals heterostructures (vdWHs) contact. We show that 1T-TaS/2H-MoS and 1T-TaS/2H-WSe form n-type Schottky contact (n-ShC type) and p-type Schottky contact (p-ShC type) with ultralow Schottky barrier height (SBH), respectively. This indicates that 1T-TaS can be considered as an effective metal contact with high charge injection efficiency for 2H-MoS, 2H-WSe semiconductors. In addition, the electronic structure and interfacial properties of 1T-TaS/2H-MoS and 1T-TaS/2H-WSe van der Waals heterostructures can be transformed from n-type to p-type Schottky contact through the effect of layer spacing and the electric field. At the same time, the transition from Schottky contact to Ohmic contact can also occur by relying on the electric field and different interlayer spacing. Our results may provide a new approach for photoelectric application design based on metal/semiconductor 1T-TaS/2H-MoS and 1T-TaS/2H-WSe van der Waals heterostructures.

摘要

在成功实验合成单层金属1T-TaS以及半导体2H-MoS、2H-WSe之后，我们开展了一项第一性原理研究，以探究金属/半导体1T-TaS/2H-MoS和1T-TaS/2H-WSe范德华异质结构（vdWHs）接触的电子和界面特性。我们发现，1T-TaS/2H-MoS和1T-TaS/2H-WSe分别形成了具有超低肖特基势垒高度（SBH）的n型肖特基接触（n-ShC型）和p型肖特基接触（p-ShC型）。这表明，对于2H-MoS、2H-WSe半导体而言，1T-TaS可被视为具有高电荷注入效率的有效金属接触。此外，通过层间距和电场的作用，1T-TaS/2H-MoS和1T-TaS/2H-WSe范德华异质结构的电子结构和界面性质可从n型肖特基接触转变为p型肖特基接触。同时，依靠电场和不同的层间距，也可发生从肖特基接触到欧姆接触的转变。我们的研究结果可能为基于金属/半导体1T-TaS/2H-MoS和1T-TaS/2H-WSe范德华异质结构的光电应用设计提供一种新方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/9b5d8d1bffec/molecules-28-05607-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/25e93b3d7afd/molecules-28-05607-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/2f0212494d61/molecules-28-05607-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/ef2bc6d3bae9/molecules-28-05607-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/66e82f9ac5a2/molecules-28-05607-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/1e4bf2b41833/molecules-28-05607-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/2ef79b3e547c/molecules-28-05607-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/a5888f254922/molecules-28-05607-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/639383e7b7bf/molecules-28-05607-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/9b5d8d1bffec/molecules-28-05607-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/25e93b3d7afd/molecules-28-05607-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/2f0212494d61/molecules-28-05607-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/ef2bc6d3bae9/molecules-28-05607-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/66e82f9ac5a2/molecules-28-05607-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/1e4bf2b41833/molecules-28-05607-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/2ef79b3e547c/molecules-28-05607-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/a5888f254922/molecules-28-05607-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/639383e7b7bf/molecules-28-05607-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df4c/10385421/9b5d8d1bffec/molecules-28-05607-g009.jpg

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