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Issue 10, 2019
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Interface Schottky barrier in Hf2NT2/MSSe (T = F, O, OH; M = Mo, W) heterostructures

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Abstract

The Schottky barrier height (SBH) is a critical parameter that determines the carrier transfer at metal/semiconductor interfaces. In this work, the interfacial properties of Hf2NT2/MSSe (T = F, O, OH; M = Mo, W) heterostructures are systematically investigated using first-principles calculations. It is found that, for MoSSe and WSSe, the use of S or Se atomic layers in contact with Hf2NT2 can give significantly different SBHs. In addition, SB-free contact for electron injection can be realized for F–S interfaces in Hf2NF2/MoSSe and Hf2NF2/WSSe heterostructures. Furthermore, the SBHs of the heterostructures can be tuned by applying compressive strain and p-type ohmic contact can be obtained for O–Se interfaces in Hf2NO2/MoSSe and Hf2NO2/WSSe heterostructures. This work proposes a feasible strategy to regulate the SBHs of interfaces.

Graphical abstract: Interface Schottky barrier in Hf2NT2/MSSe (T = F, O, OH; M = Mo, W) heterostructures

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Supplementary files

Article information


Submitted
03 Jan 2019
Accepted
13 Feb 2019
First published
19 Feb 2019

Phys. Chem. Chem. Phys., 2019,21, 5394-5401
Article type
Paper

Interface Schottky barrier in Hf2NT2/MSSe (T = F, O, OH; M = Mo, W) heterostructures

T. Jing, D. Liang, J. Hao, M. Deng and S. Cai, Phys. Chem. Chem. Phys., 2019, 21, 5394
DOI: 10.1039/C9CP00028C

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