{"title":"立方钛酸钙钛矿的激发光谱","authors":"Hieu T. Nguyen-Truong","doi":"10.15625/0868-3166/16343","DOIUrl":null,"url":null,"abstract":"We calculate excitation spectra of cubic perovskites ATiO3 (A = Ca, Sr, Ba, Pb). The calculations are performed within the time-dependent density functional theory, including local field effects. The theoretical calculations show that the perovskites have a plasmon mode at around 12 eV, which is not observed in experiments.","PeriodicalId":10571,"journal":{"name":"Communications in Physics","volume":"1 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2021-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Excitation spectra of cubic perovskite titanates\",\"authors\":\"Hieu T. Nguyen-Truong\",\"doi\":\"10.15625/0868-3166/16343\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We calculate excitation spectra of cubic perovskites ATiO3 (A = Ca, Sr, Ba, Pb). The calculations are performed within the time-dependent density functional theory, including local field effects. The theoretical calculations show that the perovskites have a plasmon mode at around 12 eV, which is not observed in experiments.\",\"PeriodicalId\":10571,\"journal\":{\"name\":\"Communications in Physics\",\"volume\":\"1 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-09-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Communications in Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.15625/0868-3166/16343\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Communications in Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.15625/0868-3166/16343","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
我们计算了立方钙钛矿ATiO3 (A = Ca, Sr, Ba, Pb)的激发光谱。计算是在时变密度泛函理论下进行的，包括局域场效应。理论计算表明，钙钛矿在12 eV左右具有等离子体模式，这在实验中没有观察到。
We calculate excitation spectra of cubic perovskites ATiO3 (A = Ca, Sr, Ba, Pb). The calculations are performed within the time-dependent density functional theory, including local field effects. The theoretical calculations show that the perovskites have a plasmon mode at around 12 eV, which is not observed in experiments.
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