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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 |
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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.
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Received: 11 May 2015
Revised: 09 July 2015
Accepted manuscript online:
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PACS:
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73.40.Ns
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(Metal-nonmetal contacts)
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73.20.At
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(Surface states, band structure, electron density of states)
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73.22.-f
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(Electronic structure of nanoscale materials and related systems)
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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
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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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