Vusala Nabi Jafarova, Sevda Sabir Rzayeva, Ionut Cristian Scurtu, Costel Stanca, Nicoleta Acomi, Gabriel Raicu
{"title":"Prediction of ferromagnetism in GaN:Ag and SiC:Ag nanotubes","authors":"Vusala Nabi Jafarova, Sevda Sabir Rzayeva, Ionut Cristian Scurtu, Costel Stanca, Nicoleta Acomi, Gabriel Raicu","doi":"10.1088/2043-6262/ad71a7","DOIUrl":null,"url":null,"abstract":"Ferromagnetism in single-walled (6,0) GaN(SiC):Ag nanotubes were studied based on <italic toggle=\"yes\">ab initio</italic> simulations within a pseudopotential method. For the GaN:Ag single-walled nanosystems, the width of the band gap reduces with the increase of dopant concentration. While Ag-doped SiC nanotubes, the band gap of majority-spin states decrease and these systems show metallic character. The first-principles results of total energies for SiC(GaN):Ag nanotubes predicted the stability of the ferromagnetic and antiferromagnetic phase, respectively. The obtained values of total magnetic moments of Ag-GaN and Ag-SiC systems are ∼2.0 and ∼3.2 μ<sub>B</sub>, respectively. The analysis of the results of density of states show the significant contribution to the magnetization of both defected GaN:Ag and SiC:Ag systems come from three nitrogen and carbon atoms which are bonded with the dopant. First-principles investigation, suggest that the SiC(GaN):Ag nanotubes can be made into magnetic materials, and these are promising candidates for electronic, optoelectronic, and spintronic devices.","PeriodicalId":7359,"journal":{"name":"Advances in Natural Sciences: Nanoscience and Nanotechnology","volume":"1 1","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Natural Sciences: Nanoscience and Nanotechnology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1088/2043-6262/ad71a7","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Ferromagnetism in single-walled (6,0) GaN(SiC):Ag nanotubes were studied based on ab initio simulations within a pseudopotential method. For the GaN:Ag single-walled nanosystems, the width of the band gap reduces with the increase of dopant concentration. While Ag-doped SiC nanotubes, the band gap of majority-spin states decrease and these systems show metallic character. The first-principles results of total energies for SiC(GaN):Ag nanotubes predicted the stability of the ferromagnetic and antiferromagnetic phase, respectively. The obtained values of total magnetic moments of Ag-GaN and Ag-SiC systems are ∼2.0 and ∼3.2 μB, respectively. The analysis of the results of density of states show the significant contribution to the magnetization of both defected GaN:Ag and SiC:Ag systems come from three nitrogen and carbon atoms which are bonded with the dopant. First-principles investigation, suggest that the SiC(GaN):Ag nanotubes can be made into magnetic materials, and these are promising candidates for electronic, optoelectronic, and spintronic devices.