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.
@article{arxiv.1511.07923,
title = {Designing a fully-compensated half-metallic ferrimagnet},
author = {Mario Zic and Karsten Rode and Naganivetha Thiyagarajah and Yong-Chang Lau and Davide Betto and J. M. D. Coey and Stefano Sanvito and Kerry J. O'Shea and Ciaran A. Ferguson and Donald A. MacLaren and Thomas Archer},
journal= {arXiv preprint arXiv:1511.07923},
year = {2016}
}