{"title":"Ab-initio study of structural and electronic properties of Ga1-xScxN","authors":"Sahil Soni, D. Ahlawat","doi":"10.61343/jcm.v1i01.3","DOIUrl":null,"url":null,"abstract":"In this work, we have calculated the structural and electronic properties of Sc doped GaN in different configurations. This study has been done using first principles full potential linearized argumented plane wave (FP-LAPW) method within the framework of Density Functional Theory. Here we used the generalized gradient approximation (GGA) of Perdew, Burke and Ernzerhof for exchange and correlation effects. Our results obtained for structural parameters and band structures are in good agreement with experimental results as well as other theoretical work.","PeriodicalId":37739,"journal":{"name":"Journal of Condensed Matter Nuclear Science","volume":null,"pages":null},"PeriodicalIF":0.1000,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Condensed Matter Nuclear Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.61343/jcm.v1i01.3","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0
Abstract
In this work, we have calculated the structural and electronic properties of Sc doped GaN in different configurations. This study has been done using first principles full potential linearized argumented plane wave (FP-LAPW) method within the framework of Density Functional Theory. Here we used the generalized gradient approximation (GGA) of Perdew, Burke and Ernzerhof for exchange and correlation effects. Our results obtained for structural parameters and band structures are in good agreement with experimental results as well as other theoretical work.
期刊介绍：
The Journal of Condensed Matter Nuclear Science is an open-access electronic journal that accepts scientific papers of high quality concerned with subjects relating to nuclear processes in condensed matter. Papers may focus on the results of experimental studies, theoretical studies, or a combination of these. Topics to which the journal is addressed include:- Calorimetry, energy production in metal hydrides and deuterides; Correlations, or lack of correlations, between energy production and possible nuclear products Materials science issues that are important for the development of nuclear effects in condensed matter Electrochemical issues concerning loading, surface chemistry, resistance diagnostics and other issues concerning metal hydrides and metal deuterides Observations of nuclear products, charged particles, neutrons, tritium, X-ray and gamma emission in metal hydrides Production of new elements or isotopes in metal hydrides and metal deuterides; and modification of isotopic distributions Induced radioactivity in metal deuterides and metal hydrides Accelerator experiments on metal deuterides and metal hydrides Models for nuclear processes in the condensed matter.
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