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: | , , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2018-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2018/8010351 |
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| _version_ | 1832554336774782976 |
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| author | Bei Xu Changjun Zhu Xiaomin He Yuan Zang Shenghuang Lin Lianbi Li Song Feng Qianqian Lei |
| author_facet | Bei Xu Changjun Zhu Xiaomin He Yuan Zang Shenghuang Lin Lianbi Li Song Feng Qianqian Lei |
| author_sort | Bei Xu |
| collection | DOAJ |
| 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. |
| format | Article |
| id | doaj-art-0bc67c537fa748379f8d864e52f48e95 |
| institution | Kabale University |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2018-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-0bc67c537fa748379f8d864e52f48e952025-02-03T05:51:44ZengWileyAdvances 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 |
| 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 |
| title | 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_short | 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 |
| url | http://dx.doi.org/10.1155/2018/8010351 |
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