The Half-Metallicity of Co2FeGe Full Heusler Alloy in (001) Thin Film: First Principles Study
DC Field | Value | Language |
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dc.contributor.author | Hyun, Jung-Min | - |
dc.contributor.author | Kim, Miyoung | - |
dc.date.available | 2021-02-22T09:46:18Z | - |
dc.date.issued | 2018-01 | - |
dc.identifier.issn | 0374-4884 | - |
dc.identifier.issn | 1976-8524 | - |
dc.identifier.uri | https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/4750 | - |
dc.description.abstract | The electronic and magnetic properties of the Co2FeGe full Heusler alloy in (001) thin film are investigated using the first-principles electronic structure calculations within the density functional theory. We employ various exchange correlation functionals including the local density approximation (LDA), the generalized gradient approximation (GGA), and the additional +U corrections for strong on-site Coulomb interaction of transition metal 3d states, aiming to examine the correlation effect on the electronic structures which determine the spin gap and thus the half-metallicity. Our results reveal that the Co2FeGe thin film is metallic in both LDA and GGA, while the +U correction opens up the spin gap for spin minority channel in GGA+U but not in LDA+U in contrast to its bulk alloy which is predicted to be half-metallic in both LDA+U and GGA+U approaches with total spin magnetic moment of 6 mu(B) . It is found that the surface states developed around the Fermi level and the enhanced 3de(g)-t(2g) band splitting for the spin minority channel due to the correlation effect play critical roles to determine the emergence of the half-metallicity. | - |
dc.format.extent | 7 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | KOREAN PHYSICAL SOC | - |
dc.title | The Half-Metallicity of Co2FeGe Full Heusler Alloy in (001) Thin Film: First Principles Study | - |
dc.type | Article | - |
dc.publisher.location | 대한민국 | - |
dc.identifier.doi | 10.3938/jkps.72.276 | - |
dc.identifier.scopusid | 2-s2.0-85040964043 | - |
dc.identifier.wosid | 000423395100014 | - |
dc.identifier.bibliographicCitation | JOURNAL OF THE KOREAN PHYSICAL SOCIETY, v.72, no.2, pp 276 - 282 | - |
dc.citation.title | JOURNAL OF THE KOREAN PHYSICAL SOCIETY | - |
dc.citation.volume | 72 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 276 | - |
dc.citation.endPage | 282 | - |
dc.type.docType | Article | - |
dc.identifier.kciid | ART002313370 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | sci | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Physics, Multidisciplinary | - |
dc.subject.keywordPlus | SPIN INJECTION | - |
dc.subject.keywordAuthor | First-principles calculations | - |
dc.subject.keywordAuthor | Electronic structures | - |
dc.subject.keywordAuthor | Ferromagnetic | - |
dc.subject.keywordAuthor | Half-metallicity | - |
dc.identifier.url | https://link.springer.com/article/10.3938%2Fjkps.72.276 | - |
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