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arXiv · 1511.07923

Designing a fully-compensated half-metallic ferrimagnet

Mario Zic·Karsten Rode·Naganivetha Thiyagarajah·Yong-Chang Lau·Davide Betto·J. M. D. Coey·Stefano Sanvito·Kerry J. O'Shea·Ciaran A. Ferguson·Donald A. MacLaren·Thomas Archer
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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 the first room-temperature CFHM.

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Mario Zic, Karsten Rode, Naganivetha Thiyagarajah, Yong-Chang Lau, Davide Betto, J. M. D. Coey, Stefano Sanvito, Kerry J. O'Shea, Ciaran A. Ferguson, Donald A. MacLaren, Thomas Archer. 2015-11-26. Designing a fully-compensated half-metallic ferrimagnet. https://doi.org/10.1103/physrevb.93.140202

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