The intrinsic interface properties of the top and edge 1T/2H MoS2 contact: A first-principles study

被引：17

作者：

Bai, Hui-Fang ^{[1
]}

Xu, Li-Chun ^{[1
]}

Di, Mao-Yun ^{[1
]}

Hao, Lu-Yao ^{[1
]}

Yang, Zhi ^{[1
]}

Liu, Rui Ping ^{[1
]}

Li, Xiu Yan ^{[1
]}

机构：

[1] Taiyuan Univ Technol, Coll Phys & Optoelect, Taiyuan 030024, Shanxi, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2018年 / 123卷 / 09期

基金：

中国国家自然科学基金;

关键词：

TOTAL-ENERGY CALCULATIONS; ATOMIC MECHANISM; PHASE-TRANSITION; MONOLAYER MOS2; LAYER MOS2; RESISTANCE; FIELD;

D O I：

10.1063/1.5009701

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The promised performance of monolayer molybdenum disulfide (MoS2)-based devices is hindered by the high electrical resistance at the metal-MoS2 contact. Benefitting from the metallic phase of MoS2, 1T-MoS2 is considered a potential electrode material for the semiconducting 2H-MoS2. In this paper, we report a comparative study of the allotropic 1T/2H MoS2 contact with different contact types. The edge-contact interface has a low tunnel barrier, high charge density, and even Ohmic contact with no Schottky barrier, which implies that this contact may overcome the resistance limit for the electrode-MoS2 contact. The outstanding interface properties of the 1T/2H MoS2 edge contact originate from the excess in-plane dangling bonds in the edge position. Based on our results, the edge-contact model is ideal for the 1T/2H MoS2 contact and may solve the problem of MoS2 contact resistance. Published by AIP Publishing.

引用

页数：5

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