First principle investigations on Boron doped Fe2VAl Heusler alloy
C Venkatesh, SK Srivastava, VV Rao - Physica B: Condensed Matter, 2014 - Elsevier
The role of atomic size of sp-element is investigated through theoretical calculations and
basic experiments to understand the physical properties of Boron doped Fe 2 VAl alloy. The
results of ab-initio calculations on ordered L2 1 structure of Fe 2 VAl 1-x B x (x= 0, 0.5, 1)
alloys have been compared to understand the role of sp-element size on the hybridization
among their respective valance states. Interestingly, semi-metallic and paramagnetic like
ground states were found in the Boron doped alloys in similar to Fe 2 VAl, eliminating the …
basic experiments to understand the physical properties of Boron doped Fe 2 VAl alloy. The
results of ab-initio calculations on ordered L2 1 structure of Fe 2 VAl 1-x B x (x= 0, 0.5, 1)
alloys have been compared to understand the role of sp-element size on the hybridization
among their respective valance states. Interestingly, semi-metallic and paramagnetic like
ground states were found in the Boron doped alloys in similar to Fe 2 VAl, eliminating the …
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