Samir F Matar , Antoine Villesuzanne , Guy Campet , Josik Portier , Youssef Saikali
{"title":"纯In2O3和掺杂锡的电子结构研究","authors":"Samir F Matar , Antoine Villesuzanne , Guy Campet , Josik Portier , Youssef Saikali","doi":"10.1016/S1387-1609(01)01242-7","DOIUrl":null,"url":null,"abstract":"<div><p>The electronic structures of the sesquioxide In<sub>2</sub>O<sub>3</sub> and Sn-doped In<sub>2</sub>O<sub>3</sub> are examined both self-consistently within the <em>ab initio</em> local density functional theory and using the non self-consistent extended Hückel method. A direct band gap and a wide dispersion of the bottom of the conduction band are obtained in the non-doped case. In the doped case, a narrow, half-filled band assigned to Sn is found at the bottom of the conduction band, in agreement with the metallic and transparent characteristics observed experimentally.</p></div>","PeriodicalId":100305,"journal":{"name":"Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry","volume":"4 5","pages":"Pages 367-373"},"PeriodicalIF":0.0000,"publicationDate":"2001-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1387-1609(01)01242-7","citationCount":"1","resultStr":"{\"title\":\"Étude des structures électroniques de In2O3 pur et dopé avec l’étain\",\"authors\":\"Samir F Matar , Antoine Villesuzanne , Guy Campet , Josik Portier , Youssef Saikali\",\"doi\":\"10.1016/S1387-1609(01)01242-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The electronic structures of the sesquioxide In<sub>2</sub>O<sub>3</sub> and Sn-doped In<sub>2</sub>O<sub>3</sub> are examined both self-consistently within the <em>ab initio</em> local density functional theory and using the non self-consistent extended Hückel method. A direct band gap and a wide dispersion of the bottom of the conduction band are obtained in the non-doped case. In the doped case, a narrow, half-filled band assigned to Sn is found at the bottom of the conduction band, in agreement with the metallic and transparent characteristics observed experimentally.</p></div>\",\"PeriodicalId\":100305,\"journal\":{\"name\":\"Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry\",\"volume\":\"4 5\",\"pages\":\"Pages 367-373\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2001-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S1387-1609(01)01242-7\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1387160901012427\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1387160901012427","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Étude des structures électroniques de In2O3 pur et dopé avec l’étain
The electronic structures of the sesquioxide In2O3 and Sn-doped In2O3 are examined both self-consistently within the ab initio local density functional theory and using the non self-consistent extended Hückel method. A direct band gap and a wide dispersion of the bottom of the conduction band are obtained in the non-doped case. In the doped case, a narrow, half-filled band assigned to Sn is found at the bottom of the conduction band, in agreement with the metallic and transparent characteristics observed experimentally.
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