{"title":"计算BaTiO3铁电相的自发极化","authors":"Ahmed Toumanari , Brahim Er-Raha , Lahsèn Lifsal , Driss Khatib , Wataru Kinase","doi":"10.1016/S1296-2147(01)01187-8","DOIUrl":null,"url":null,"abstract":"<div><p>The spontaneous polarization of <em>BaTiO<span><math><msub><mi></mi><mn>3</mn></msub></math></span></em> is calculated in ferroelectric phases from a microscopic model taking into account of the dipole–dipole interactions due to the local field acting on the constituent ions, where the <em>Ti</em> ions shift in the lattice having the spontaneous deformation. Our calculation shows that the spontaneous polarization increases when the temperature decreases. These theoretical results are in good agreement with the experimental data.</p></div>","PeriodicalId":100307,"journal":{"name":"Comptes Rendus de l'Académie des Sciences - Series IV - Physics-Astrophysics","volume":"2 5","pages":"Pages 781-786"},"PeriodicalIF":0.0000,"publicationDate":"2001-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1296-2147(01)01187-8","citationCount":"0","resultStr":"{\"title\":\"Calcul de la polarisation spontanée dans les phases ferroélectriques de BaTiO3\",\"authors\":\"Ahmed Toumanari , Brahim Er-Raha , Lahsèn Lifsal , Driss Khatib , Wataru Kinase\",\"doi\":\"10.1016/S1296-2147(01)01187-8\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The spontaneous polarization of <em>BaTiO<span><math><msub><mi></mi><mn>3</mn></msub></math></span></em> is calculated in ferroelectric phases from a microscopic model taking into account of the dipole–dipole interactions due to the local field acting on the constituent ions, where the <em>Ti</em> ions shift in the lattice having the spontaneous deformation. Our calculation shows that the spontaneous polarization increases when the temperature decreases. These theoretical results are in good agreement with the experimental data.</p></div>\",\"PeriodicalId\":100307,\"journal\":{\"name\":\"Comptes Rendus de l'Académie des Sciences - Series IV - Physics-Astrophysics\",\"volume\":\"2 5\",\"pages\":\"Pages 781-786\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2001-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S1296-2147(01)01187-8\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Comptes Rendus de l'Académie des Sciences - Series IV - Physics-Astrophysics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1296214701011878\",\"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 IV - Physics-Astrophysics","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1296214701011878","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Calcul de la polarisation spontanée dans les phases ferroélectriques de BaTiO3
The spontaneous polarization of BaTiO is calculated in ferroelectric phases from a microscopic model taking into account of the dipole–dipole interactions due to the local field acting on the constituent ions, where the Ti ions shift in the lattice having the spontaneous deformation. Our calculation shows that the spontaneous polarization increases when the temperature decreases. These theoretical results are in good agreement with the experimental data.
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