This title appears in the Scientific Report : 2014 

Effect of disorder on the magnetic properties of cubic Mn2RuxGa compounds: A first-principles study
Galanakis, I. (Corresponding Author)
Özdoğan, K. / Şaşıoğlu, E. / Blügel, S.
Quanten-Theorie der Materialien; IAS-1
Quanten-Theorie der Materialien; PGI-1
Journal of applied physics, 116 (2014) 3, S. 033903
Melville, NY American Institute of Physics 2014
10.1063/1.4890229
Journal Article
Spin-based and quantum information
OpenAccess
Please use the identifier: http://dx.doi.org/10.1063/1.4890229 in citations.
Please use the identifier: http://hdl.handle.net/2128/16806 in citations.
We perform first-principles electronic structure calculations to explain the anomalous magnetic behavior of the Mn2Ru x Ga compounds upon Ru doping as shown experimentally recently by Kurt et al. [Phys. Rev. Lett. 112, 027201 (2014)]. Our results suggest that disorder caused by the distribution of the Mn and Ru atoms at various sites reproduces the experimental data. All compounds present antiparallel alignment of the neighboring Mn magnetic moments and, with the exception of Mn2RuGa, none of them presents half metallic behavior.