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

被引：22

作者：

Jing, Tao ^{[1
]}

Liang, Dongmei ^{[1
]}

Hao, Jinxin ^{[2
]}

Deng, Mingsen ^{[2
]}

Cai, Shaohong ^{[3
]}

机构：

[1] Kaili Univ, Coll Sci, Kaili 556011, Peoples R China

[2] Guizhou Educ Univ, Appl Phys Inst, Guizhou Prov Key Lab Computat Nanomat Sci, Guiyang 550018, Guizhou, Peoples R China

[3] Guizhou Univ Finance & Econ, Guizhou Key Lab Econ Syst Simulat, Guiyang 550004, Guizhou, Peoples R China

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2019年 / 21卷 / 10期

基金：

美国国家科学基金会;

关键词：

MXENE MONOLAYERS; JANUS MOSSE; MOBILITY; CARBIDES;

D O I：

10.1039/c9cp00028c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：5394 / 5401

页数：8

共 47 条

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