Electronic properties of the SnSe-metal contacts: First-principles study

doi:10.1088/1674-1056/24/11/117308

中国物理B ›› 2015, Vol. 24 ›› Issue (11): 117308-117308.doi: 10.1088/1674-1056/24/11/117308

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Electronic properties of the SnSe-metal contacts: First-principles study

戴宪起^{a b}, 王小龙^a, 李伟^a, 王天兴^a

a College of Physics and Electronic Engineering, Henan Normal University, Xinxiang 453007, China;
b School of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou 450044, China

收稿日期:2015-05-11 修回日期:2015-07-09 出版日期:2015-11-05 发布日期:2015-11-05
通讯作者: Dai Xian-Qi E-mail:xqdai@htu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. U1304518 and U1404109).

Electronic properties of the SnSe-metal contacts: First-principles study

Dai Xian-Qi (戴宪起)^{a b}, Wang Xiao-Long (王小龙)^a, Li Wei (李伟)^a, Wang Tian-Xing (王天兴)^a

a College of Physics and Electronic Engineering, Henan Normal University, Xinxiang 453007, China;
b School of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou 450044, China

Received:2015-05-11 Revised:2015-07-09 Online:2015-11-05 Published:2015-11-05
Contact: Dai Xian-Qi E-mail:xqdai@htu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. U1304518 and U1404109).

摘要/Abstract

摘要： The geometries and electronic properties of SnSe/metal contact have been investigated using first-principles calculation. It is found that the geometries of monolayer SnSe were affected slightly when SnSe adsorbs on M (M=Ag, Au, Ta) substrate. Compared with the corresponding free-standing monolayer SnSe, the adsorbed SnSe undergoes a semiconductor-to-metal transition. The potential difference Δ V indicates that SnSe/Ta contact is the best candidate for the Schottky contact of the three SnSe/M contacts. Two types of current-in-plane (CIP) structure, where a freestanding monolayer SnSe is connected to SnSe/M, are identified as the n-type CIP structure in SnSe/Ag contact and p-type CIP structure in SnSe/Au and SnSe/Ta contact. The results can stimulate further investigation for the multifunctional SnSe/metal contact.

关键词: first-principles, monolayer SnSe, metal-semiconductor contact, current-in-plane structure

Abstract: The geometries and electronic properties of SnSe/metal contact have been investigated using first-principles calculation. It is found that the geometries of monolayer SnSe were affected slightly when SnSe adsorbs on M (M=Ag, Au, Ta) substrate. Compared with the corresponding free-standing monolayer SnSe, the adsorbed SnSe undergoes a semiconductor-to-metal transition. The potential difference Δ V indicates that SnSe/Ta contact is the best candidate for the Schottky contact of the three SnSe/M contacts. Two types of current-in-plane (CIP) structure, where a freestanding monolayer SnSe is connected to SnSe/M, are identified as the n-type CIP structure in SnSe/Ag contact and p-type CIP structure in SnSe/Au and SnSe/Ta contact. The results can stimulate further investigation for the multifunctional SnSe/metal contact.

Key words: first-principles, monolayer SnSe, metal-semiconductor contact, current-in-plane structure

中图分类号: (Metal-nonmetal contacts)

73.40.Ns

73.20.At (Surface states, band structure, electron density of states) 73.22.-f (Electronic structure of nanoscale materials and related systems)

戴宪起, 王小龙, 李伟, 王天兴. Electronic properties of the SnSe-metal contacts: First-principles study[J]. 中国物理B, 2015, 24(11): 117308-117308.

Dai Xian-Qi (戴宪起), Wang Xiao-Long (王小龙), Li Wei (李伟), Wang Tian-Xing (王天兴). Electronic properties of the SnSe-metal contacts: First-principles study[J]. Chin. Phys. B, 2015, 24(11): 117308-117308.

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Electronic properties of the SnSe-metal contacts: First-principles study

Electronic properties of the SnSe-metal contacts: First-principles study

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