{"title":"掺硼γ -ga2o3能量特性的量子化学计算","authors":"E. Okulich, V. Okulich, D. Tetelbaum","doi":"10.29003/m3093.mmmsec-2022/138-140","DOIUrl":null,"url":null,"abstract":"The paper presents the results of calculations by the DFT method of the energy characteristics of possible configurations of the boron atom embedded in Ga2O3 using ion implantation. The results for different types of interstitials are obtained, and the energy barriers of diffusion B along interstitial channels are estimated.","PeriodicalId":151453,"journal":{"name":"Mathematical modeling in materials science of electronic component","volume":"51 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"QUANTUM-CHEMICAL CALCULATION OF THE ENERGY CHARACTERISTICS OF BORON-DOPED ?-GA2O3\",\"authors\":\"E. Okulich, V. Okulich, D. Tetelbaum\",\"doi\":\"10.29003/m3093.mmmsec-2022/138-140\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The paper presents the results of calculations by the DFT method of the energy characteristics of possible configurations of the boron atom embedded in Ga2O3 using ion implantation. The results for different types of interstitials are obtained, and the energy barriers of diffusion B along interstitial channels are estimated.\",\"PeriodicalId\":151453,\"journal\":{\"name\":\"Mathematical modeling in materials science of electronic component\",\"volume\":\"51 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-10-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Mathematical modeling in materials science of electronic component\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.29003/m3093.mmmsec-2022/138-140\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Mathematical modeling in materials science of electronic component","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.29003/m3093.mmmsec-2022/138-140","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
QUANTUM-CHEMICAL CALCULATION OF THE ENERGY CHARACTERISTICS OF BORON-DOPED ?-GA2O3
The paper presents the results of calculations by the DFT method of the energy characteristics of possible configurations of the boron atom embedded in Ga2O3 using ion implantation. The results for different types of interstitials are obtained, and the energy barriers of diffusion B along interstitial channels are estimated.
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