Designing a fully-compensated half-metallic ferrimagnet
| Autor: | Zic, 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 |
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| Rok vydání: | 2015 |
| Předmět: | |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.93.140202 |
| Popis: | 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. Comment: 5 pages + 4 pages supplementary material |
| Databáze: | arXiv |
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