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arXiv · 1709.06490

Effect of Co substitution on Ni$_{2}$MnGe Heusler alloy: ab initio study

M. Pugaczowa-Michalska
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Abstract

Ab initio calculations shown that the Co substitution instead of Ni in Ni$_{2}$MnGe with the L2$_{1}$ crystallographic structure leads to a decrease of the lattice constant and an increase of the total magnetic moment of the Ni$_{2-x}$Co$_{x}$MnGe compounds. The Mn(B) has the largest local moment above $3~\mu_{B}$ coupled parallel to moments on the Ni(A,C) and Co(A,C), which are found in the ranges of $0.19\div0.26~\mu_{B}$ for Ni(A,C) and $1.03\div0.97~\mu_{B}$ for Co(A,C) for studied range of $x$. Using the results stemming from the total energy calculations, the values of bulk modulus and its pressure derivatives are estimated according to the Murnaghan EOS.

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M. Pugaczowa-Michalska. 2017-09-19. Effect of Co substitution on Ni$_{2}$MnGe Heusler alloy: ab initio study. https://doi.org/10.12693/aphyspola.133.495

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