{"title":"Co2MnGa1-xAlx-Heusler合金半金属性质的预测","authors":"","doi":"10.47011/16.1.7","DOIUrl":null,"url":null,"abstract":"Abstract: The stability, structural, electronic and magnetic properties of the doped Heusler compounds Co2MnGa1−xAlx with (x= 0, 0.25, 0.50, 0.75 and 1) were studied theoretically by using first-principles density functional theory within the generalized gradient approximation (GGA) scheme. The magnetic state is found to be energetically more favorable than the non-magnetic one. The calculated results reveal that with increasing Al concentration, the lattice parameter slightly decreases. Furthermore, the calculated densities of states for Co2MnGa, Co2MnAl and Co2MnGa1-xAlx (x = 0.25, 0.50 and 0.75) show a half-metallic behavior.\nKeywords: Heusler, Half metallic, Co-based heusler, Magnetic moment.","PeriodicalId":42562,"journal":{"name":"Jordan Journal of Physics","volume":null,"pages":null},"PeriodicalIF":0.5000,"publicationDate":"2023-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Prediction of the Half-metallic Properties of Co2MnGa1-xAlx Heusler Alloys\",\"authors\":\"\",\"doi\":\"10.47011/16.1.7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Abstract: The stability, structural, electronic and magnetic properties of the doped Heusler compounds Co2MnGa1−xAlx with (x= 0, 0.25, 0.50, 0.75 and 1) were studied theoretically by using first-principles density functional theory within the generalized gradient approximation (GGA) scheme. The magnetic state is found to be energetically more favorable than the non-magnetic one. The calculated results reveal that with increasing Al concentration, the lattice parameter slightly decreases. Furthermore, the calculated densities of states for Co2MnGa, Co2MnAl and Co2MnGa1-xAlx (x = 0.25, 0.50 and 0.75) show a half-metallic behavior.\\nKeywords: Heusler, Half metallic, Co-based heusler, Magnetic moment.\",\"PeriodicalId\":42562,\"journal\":{\"name\":\"Jordan Journal of Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2023-03-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Jordan Journal of Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.47011/16.1.7\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Jordan Journal of Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.47011/16.1.7","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
Prediction of the Half-metallic Properties of Co2MnGa1-xAlx Heusler Alloys
Abstract: The stability, structural, electronic and magnetic properties of the doped Heusler compounds Co2MnGa1−xAlx with (x= 0, 0.25, 0.50, 0.75 and 1) were studied theoretically by using first-principles density functional theory within the generalized gradient approximation (GGA) scheme. The magnetic state is found to be energetically more favorable than the non-magnetic one. The calculated results reveal that with increasing Al concentration, the lattice parameter slightly decreases. Furthermore, the calculated densities of states for Co2MnGa, Co2MnAl and Co2MnGa1-xAlx (x = 0.25, 0.50 and 0.75) show a half-metallic behavior.
Keywords: Heusler, Half metallic, Co-based heusler, Magnetic moment.
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