First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction

First-principles calculation is employed to investigate atomic and electronic properties of Ge/SiC heterojunction with different Ge orientations. Based on the density functional theory, the work of adhesion, relaxation energy, density of states, and total charge density are calculated. It is shown t...

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Main Authors:	Bei Xu, Changjun Zhu, Xiaomin He, Yuan Zang, Shenghuang Lin, Lianbi Li, Song Feng, Qianqian Lei
Format:	Article
Language:	English
Published:	Hindawi Limited 2018-01-01
Series:	Advances in Condensed Matter Physics
Online Access:	http://dx.doi.org/10.1155/2018/8010351

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spelling	doaj-0bc67c537fa748379f8d864e52f48e952020-11-24T21:14:34ZengHindawi LimitedAdvances in Condensed Matter Physics1687-81081687-81242018-01-01201810.1155/2018/80103518010351First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC HeterojunctionBei Xu0Changjun Zhu1Xiaomin He2Yuan Zang3Shenghuang Lin4Lianbi Li5Song Feng6Qianqian Lei7School of Science, Xi’an Polytechnic University, Xi’an 710048, ChinaSchool of Science, Xi’an Polytechnic University, Xi’an 710048, ChinaDepartment of Electronic Engineering, Xi’an University of Technology, Xi’an 710048, ChinaDepartment of Electronic Engineering, Xi’an University of Technology, Xi’an 710048, ChinaDepartment of Applied Physics, The Hong Kong Polytechnic University, Hung Hom, Hong KongSchool of Science, Xi’an Polytechnic University, Xi’an 710048, ChinaSchool of Science, Xi’an Polytechnic University, Xi’an 710048, ChinaSchool of Science, Xi’an Polytechnic University, Xi’an 710048, ChinaFirst-principles calculation is employed to investigate atomic and electronic properties of Ge/SiC heterojunction with different Ge orientations. Based on the density functional theory, the work of adhesion, relaxation energy, density of states, and total charge density are calculated. It is shown that Ge(110)/4H-SiC(0001) heterointerface possesses higher adhesion energy than that of Ge(111)/4H-SiC(0001) interface, and hence Ge/4H-SiC(0001) heterojunction with Ge[110] crystalline orientation exhibits more stable characteristics. The relaxation energy of Ge(110)/4H-SiC(0001) heterojunction interface is lower than that of Ge(111)/4H-SiC(0001) interface, indicating that Ge(110)/4H-SiC(0001) interface is easier to form at relative low temperature. The interfacial bonding is analysed using partial density of states and total charge density distribution, and the results show that the bonding is contributed by the Ge-Si bonding.http://dx.doi.org/10.1155/2018/8010351
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Bei Xu Changjun Zhu Xiaomin He Yuan Zang Shenghuang Lin Lianbi Li Song Feng Qianqian Lei
spellingShingle	Bei Xu Changjun Zhu Xiaomin He Yuan Zang Shenghuang Lin Lianbi Li Song Feng Qianqian Lei First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction Advances in Condensed Matter Physics
author_facet	Bei Xu Changjun Zhu Xiaomin He Yuan Zang Shenghuang Lin Lianbi Li Song Feng Qianqian Lei
author_sort	Bei Xu
title	First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction
title_short	First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction
title_full	First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction
title_fullStr	First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction
title_full_unstemmed	First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction
title_sort	first-principles calculations on atomic and electronic properties of ge/4h-sic heterojunction
publisher	Hindawi Limited
series	Advances in Condensed Matter Physics
issn	1687-8108 1687-8124
publishDate	2018-01-01
description	First-principles calculation is employed to investigate atomic and electronic properties of Ge/SiC heterojunction with different Ge orientations. Based on the density functional theory, the work of adhesion, relaxation energy, density of states, and total charge density are calculated. It is shown that Ge(110)/4H-SiC(0001) heterointerface possesses higher adhesion energy than that of Ge(111)/4H-SiC(0001) interface, and hence Ge/4H-SiC(0001) heterojunction with Ge[110] crystalline orientation exhibits more stable characteristics. The relaxation energy of Ge(110)/4H-SiC(0001) heterojunction interface is lower than that of Ge(111)/4H-SiC(0001) interface, indicating that Ge(110)/4H-SiC(0001) interface is easier to form at relative low temperature. The interfacial bonding is analysed using partial density of states and total charge density distribution, and the results show that the bonding is contributed by the Ge-Si bonding.
url	http://dx.doi.org/10.1155/2018/8010351
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First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction

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