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Investigation of atomic anti-site disorder and ferrimagnetic order in the half-metallic Heusler alloy Mn2VGa.

Authors
  • Ramesh Kumar, K
  • Harish Kumar, N
  • Babu, P D
  • Venkatesh, S
  • Ramakrishnan, S
Type
Published Article
Journal
Journal of Physics Condensed Matter
Publisher
IOP Publishing
Publication Date
Aug 22, 2012
Volume
24
Issue
33
Pages
336007–336007
Identifiers
DOI: 10.1088/0953-8984/24/33/336007
PMID: 22836484
Source
Medline
License
Unknown

Abstract

The band structure calculation for the compound Mn(2)VGa carried out using the plane wave self-consistent field package with generalized gradient approximation shows that the compound is nearly half-metallic at the equilibrium lattice parameter. However, theoretical investigations have shown that a certain percentage of atomic anti-site disorder can destroy the half-metallic nature of the sample. Hence it is important to quantify the site disorder in these systems. We have deduced the percentage of atomic anti-site disorder from the refinement of the higher angle room temperature (300 K) neutron diffraction (ND) pattern and it was observed to be roughly 8% in our sample. The field variation of resistance recorded at different temperatures shows a positive slope at low temperatures and a negative slope at higher temperatures, indicating the half-metallic character at low temperatures. The ab initio calculations predict a ferrimagnetic ground state for this system. The analysis of the magnetic structure from ND data measured at 6 K yields magnetic moment values of 1.28 μ(B) and -0.7 μ(B) for Mn and V, respectively, confirming the ferrimagnetic ordering.

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