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Title: Effect of disorder on the magnetic properties of cubic Mn{sub 2}Ru{sub x}Ga compounds: A first-principles study

We perform first-principles electronic structure calculations to explain the anomalous magnetic behavior of the Mn{sub 2}Ru{sub 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 Mn{sub 2}RuGa, none of them presents half metallic behavior.
Authors:
 [1] ;  [2] ; ;  [3]
  1. Department of Materials Science, School of Natural Sciences, University of Patras, GR-26504 Patra (Greece)
  2. Department of Physics, Yildiz Technical University, 34210 İstanbul (Turkey)
  3. Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich (Germany)
Publication Date:
OSTI Identifier:
22308476
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALIGNMENT; ATOMS; COMPUTERIZED SIMULATION; DISTRIBUTION; ELECTRONIC STRUCTURE; EXCEPTIONS; GALLIUM COMPOUNDS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MANGANESE COMPOUNDS; RUTHENIUM COMPOUNDS