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Investigation of atomic anti-site disorder and ferrimagnetic order in the half-metallic Heusler alloy Mn 2V Ga
Krishnan Ramesh Kumar,
Published in
2012
Volume: 24
   
Issue: 33
Abstract
The band structure calculation for the compound Mn 2VGa 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 (300K) 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 abinitio calculations predict a ferrimagnetic ground state for this system. The analysis of the magnetic structure from ND data measured at 6K yields magnetic moment values of 1.28μ B and 0.7μ B for Mn and V, respectively, confirming the ferrimagnetic ordering. © 2012 IOP Publishing Ltd.
About the journal
JournalJournal of Physics Condensed Matter
ISSN09538984
Open AccessNo
Concepts (22)
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    Ab initio calculations
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    Band structure calculation
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    FERRIMAGNETIC ORDER
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    FERRIMAGNETIC ORDERING
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    Generalized gradient approximations
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    HALF-METALLIC
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    Half-metallic characters
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    Heusler alloys
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    Low temperatures
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    NEGATIVE SLOPE
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    PLANE WAVE
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    Room temperature
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    SELF-CONSISTENT FIELD
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    SITE DISORDER
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    Theoretical investigations
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    Atoms
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    Ferrimagnetism
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    Magnetic moments
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    Manganese
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    Metallic compounds
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    Neutron diffraction
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    Strontium compounds