First Principle Calculations on Structures and Magnetic Properties in Non-Stoichiometric Ni-Mn-Ga Shape Memory Alloys

Yoshiyuki Nakata; Kazuko Inoue

doi:10.2320/matertrans.45.2661

MATERIALS TRANSACTIONS

Online ISSN : 1347-5320
Print ISSN : 1345-9678
ISSN-L : 1345-9678

First Principle Calculations on Structures and Magnetic Properties in Non-Stoichiometric Ni-Mn-Ga Shape Memory Alloys

Yoshiyuki Nakata, Kazuko Inoue

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Keywords: first principle calculation, nickel, manganese, gallium, shape memory alloys, tetragonality, magnetic moment

JOURNAL FREE ACCESS

2004 Volume 45 Issue 8 Pages 2661-2664

DOI https://doi.org/10.2320/matertrans.45.2661

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Abstract

Change in cohesive energies in a non-stoichiometric Ni₉Mn₃Ga₄ alloy was calculated as a function of tetragonality, c/a, and compared with that in a stoichiometric alloy. A dip around c/a ≅ 0.97, which is seen in a stoichiometric alloy, disappears in the non-stoichiometric alloy, and a dip around c/a ≅ 1.23 become deeper than that in the stoichiometric alloy. These results are in good agreement with the influence of Ni concentrations on c/a in Ni-Mn-Ga alloys.

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