Interface Schottky barrier in Hf2NT2/MSSe (T = F, O, OH; M = Mo, W) heterostructures
文献信息
发布日期
2019-02-19
DOI
10.1039/C9CP00028C
影响因子
3.676
作者
Tao Jing, Dongmei Liang, Jinxin Hao, Mingsen Deng, Shaohong Cai
查看原文
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.
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来源期刊
Physical Chemistry Chemical Physics
CiteScore:
5.5
自引率:
10.3%
年发文量:
3036
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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