Zic, M. et al. (2016) Designing a fully compensated half-metallic ferrimagnet. Physical Review B, 93(14), 140202. (doi: 10.1103/PhysRevB.93.140202)
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Abstract
Recent experimental work on Mn2RuxGa demonstrates its potential as a compensated ferrimagnetic half-metal (CFHM). Here we present a set of high-throughput ab initio density functional theory calculations and detailed experimental characterisation, that enable us to correctly describe the nominal Mn2RuxGa thin films, in particular with regard to site-disorder and defects. We then construct models that accurately capture all the key features of the Mn-Ru-Ga system, including magnetic compensation and the spin gap at the Fermi level. We find that electronic doping is neccessary, which is achieved with a Mn/Ga ratio smaller than two. Our study shows how composition and substrate-induced biaxial strain can be combined to design a ferrimagnetic half-metal with a compensation point close to room temperature.
Item Type: | Articles |
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Status: | Published |
Refereed: | Yes |
Glasgow Author(s) Enlighten ID: | MacLaren, Professor Donald and O'Shea, Miss Kerry and Ferguson, Mr Ciaran |
Authors: | Zic, M., Rode, K., Thiyagarajah, N., Lau, Y.-C., Betto, D., Coey, J. M. D., Sanvito, S., O'Shea, K. J., Ferguson, C. A., MacLaren, D. A., and Archer, T. |
College/School: | College of Science and Engineering > School of Physics and Astronomy |
Journal Name: | Physical Review B |
Publisher: | American Physical Society |
ISSN: | 1098-0121 |
ISSN (Online): | 1550-235X |
Copyright Holders: | Copyright © 2016 American Physical Society |
First Published: | First published in Physical Review B 93(14):140202 |
Publisher Policy: | Reproduced in accordance with the copyright policy of the publisher |
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