{"title":"Electron energy bands of CdO crystal evaluated with accounting of the strong correlated electrons","authors":"S. Syrotyuk, V. Shved","doi":"10.1109/OMEE.2012.6464813","DOIUrl":null,"url":null,"abstract":"The electron energy bands and densities of states have been calculated within the projector augmented waves (PAW) formalism. The PBE exchange-correlation functional gives the absence of the gap contrary to the experiment. The account of the exact exchange substantially improves the results for direct and indirect interband gaps.","PeriodicalId":6332,"journal":{"name":"2012 IEEE International Conference on Oxide Materials for Electronic Engineering (OMEE)","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2012-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2012 IEEE International Conference on Oxide Materials for Electronic Engineering (OMEE)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/OMEE.2012.6464813","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1
Abstract
The electron energy bands and densities of states have been calculated within the projector augmented waves (PAW) formalism. The PBE exchange-correlation functional gives the absence of the gap contrary to the experiment. The account of the exact exchange substantially improves the results for direct and indirect interband gaps.
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