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

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

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.

Keywords: first-principles monolayer SnSe metal-semiconductor contact current-in-plane structure

Received: 11 May 2015
Revised: 09 July 2015
Accepted manuscript online:

PACS:	73.40.Ns	(Metal-nonmetal contacts)
	73.20.At	(Surface states, band structure, electron density of states)
	73.22.-f	(Electronic structure of nanoscale materials and related systems)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. U1304518 and U1404109).

Corresponding Authors: Dai Xian-Qi
E-mail: xqdai@htu.cn

Cite this article:

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 2015 Chin. Phys. B 24 117308

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