{"title":"GaAs (112)-(2×2)表面重建的第一性原理研究","authors":"W. Shu, Xia Zhang, Xiaolong Liu, Hui Huang, Yongqing Huang, X. Ren","doi":"10.1109/AOM.2010.5713533","DOIUrl":null,"url":null,"abstract":"We have investigated surface reconstructions of GaAs(112)A and GaAs(112)B surfaces using first-principles calculations. Ga-Ga and As-As dimmers are formed on GaAs(112)A and GaAs(112)B surface, respectively. The results show that the relaxed GaAs (112) A surface has lower surface free energy, 60.6 meV/Å2, while GaAs (112) B has 69.4 meV/Å2. The surface relaxation caused mainly from the top two layers. The analysis of surface electronic properties also has been demonstrated.","PeriodicalId":222199,"journal":{"name":"Advances in Optoelectronics and Micro/nano-optics","volume":"16 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2010-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"First-principles investigations of GaAs (112)-(2×2) surface reconstruction\",\"authors\":\"W. Shu, Xia Zhang, Xiaolong Liu, Hui Huang, Yongqing Huang, X. Ren\",\"doi\":\"10.1109/AOM.2010.5713533\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We have investigated surface reconstructions of GaAs(112)A and GaAs(112)B surfaces using first-principles calculations. Ga-Ga and As-As dimmers are formed on GaAs(112)A and GaAs(112)B surface, respectively. The results show that the relaxed GaAs (112) A surface has lower surface free energy, 60.6 meV/Å2, while GaAs (112) B has 69.4 meV/Å2. The surface relaxation caused mainly from the top two layers. The analysis of surface electronic properties also has been demonstrated.\",\"PeriodicalId\":222199,\"journal\":{\"name\":\"Advances in Optoelectronics and Micro/nano-optics\",\"volume\":\"16 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2010-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Optoelectronics and Micro/nano-optics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/AOM.2010.5713533\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Optoelectronics and Micro/nano-optics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/AOM.2010.5713533","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
First-principles investigations of GaAs (112)-(2×2) surface reconstruction
We have investigated surface reconstructions of GaAs(112)A and GaAs(112)B surfaces using first-principles calculations. Ga-Ga and As-As dimmers are formed on GaAs(112)A and GaAs(112)B surface, respectively. The results show that the relaxed GaAs (112) A surface has lower surface free energy, 60.6 meV/Å2, while GaAs (112) B has 69.4 meV/Å2. The surface relaxation caused mainly from the top two layers. The analysis of surface electronic properties also has been demonstrated.
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