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Temperature-dependent spin polarization of Heusler Co2MnSi from the disordered local-moment approach : effects of atomic disordering and nonstoichiometry
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Nawa, Kenji, Kurniawan, Ivan, Masuda, Keisuke, Miura, Yoshio, Patrick, Christopher E. and Staunton, Julie B. (2020) Temperature-dependent spin polarization of Heusler Co2MnSi from the disordered local-moment approach : effects of atomic disordering and nonstoichiometry. Physical Review B (Condensed Matter and Materials Physics), 102 (5). 054424. doi:10.1103/physrevb.102.054424 ISSN 1098-0121.
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WRAP-temperature-dependent-spin-polarization-Heusler-Co2MnSi-disordered-local-moment-approach-2020.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (1511Kb) | Preview |
Official URL: https://doi.org/10.1103/physrevb.102.054424
Abstract
Half-metallic ferromagnets have been widely investigated by first-principles density-functional theory (DFT) calculations, but extending such studies to investigate spin-polarization at finite temperatures is still challenging due to the difficulty of incorporating temperature effects appropriately. We present DFT calculations, based on a Green's function formulation, which include thermal effects via the disordered local-moment method to address this issue. The calculations are carried out for Heusler Co2MnSi alloys in order to investigate the temperature dependence of spin polarization, where atomic-disordering and nonstoichiometric effects are taken into account. Our results show that the spin polarization strongly depends on temperature and that a Co d-orbital effect plays a key role in this effect. Furthermore, we find that the temperature-dependent spin polarization of Co2MnSi can be improved by reducing the Co content and incorporating extra Mn.
Item Type: | Journal Article | ||||||
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Subjects: | Q Science > QC Physics | ||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||
SWORD Depositor: | Library Publications Router | ||||||
Library of Congress Subject Headings (LCSH): | Polarization (Nuclear physics), Ferromagnetism , Density functionals, Alloys, Nuclear spin | ||||||
Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||||
Publisher: | American Physical Society | ||||||
ISSN: | 1098-0121 | ||||||
Official Date: | 18 August 2020 | ||||||
Dates: |
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Volume: | 102 | ||||||
Number: | 5 | ||||||
Article Number: | 054424 | ||||||
DOI: | 10.1103/physrevb.102.054424 | ||||||
Status: | Peer Reviewed | ||||||
Publication Status: | Published | ||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||
Date of first compliant deposit: | 16 February 2022 | ||||||
Date of first compliant Open Access: | 21 February 2022 |
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