Designing a fully compensated half-metallic ferrimagnet

Recent experimental work on Mn sub(2) Ru sub(x) Ga 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 a detailed experimental characterization that enable us to correctly describe...

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Bibliographic Details
Published in:Physical review. B 2016-04, Vol.93 (14), Article 140202
Main Authors: Žic, Mario, Rode, Karsten, Thiyagarajah, Naganivetha, Lau, Yong-Chang, Betto, Davide, Coey, J. M. D., Sanvito, Stefano, O'Shea, Kerry J., Ferguson, Ciaran A., MacLaren, Donald A., Archer, Thomas
Format: Article
Language:English
Subjects:
Compensation
Condensed matter
Density functional theory
Electronics
Ferrimagnetism
Gallium
Mathematical models
Thin films
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Summary:Recent experimental work on Mn sub(2) Ru sub(x) Ga 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 a detailed experimental characterization that enable us to correctly describe the nominal Mn sub(2) Ru sub(x) Ga 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 necessary, 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.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.93.140202