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Journal of Materials Science
Published in: Journal of Materials Science 2/2017

22-09-2016 | Original Paper

Bulk modulus and thermodynamic properties of L21 Ni2 XY (X = Mn, Fe, Co, Y = Ga, In) compounds studied by first-principles calculations

Authors: W. Peng, D. H. Zhang, N. Xu

Published in: Journal of Materials Science | Issue 2/2017

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Abstract

We have calculated the bulk modulus and thermodynamic properties of Ni2 XY (X = Mn, Fe, Co, Y = Ga, In) ferromagnetic shape memory alloys by first-principles density-functional calculations. It is demonstrated that in general, the bulk modulus and Debye temperature of each alloy decrease with temperature and increase with pressure, whereas the thermal expansion coefficient and the heat capacity of each alloy show an opposite trend. With the increasing atomic number of X or the decreasing atomic number of Y element, the bulk modulus and Debye temperature increase, whereas the heat capacity decreases but the thermal expansion coefficient does not make a big change.
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Metadata
Title
Bulk modulus and thermodynamic properties of L21 Ni2 XY (X = Mn, Fe, Co, Y = Ga, In) compounds studied by first-principles calculations
Authors
W. Peng
D. H. Zhang
N. Xu
Publication date
22-09-2016
Publisher
Springer US
Published in
Journal of Materials Science / Issue 2/2017
Print ISSN: 0022-2461
Electronic ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-016-0410-x

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