1. bookVolume 32 (2014): Issue 3 (September 2014)
Journal Details
License
Format
Journal
eISSN
2083-134X
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English
Open Access

Electronic structure and possible martensitic transformation in Ni2FeIn alloy

Published Online: 17 Oct 2014
Volume & Issue: Volume 32 (2014) - Issue 3 (September 2014)
Page range: 396 - 401
Journal Details
License
Format
Journal
eISSN
2083-134X
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English
Abstract

The electronic structure and magnetic properties of Heusler alloys (Ni2FeIn) have been studied by first principle calculations. The possible tetragonal martensitic transformation has been predicted and the structure optimization was made on cubic austenitic Ni2FeIn in Cu2MnAl type. The equilibrium lattice constant of austenitic Ni2FeIn is 6.03 Å. In tetragonal phase, the global energy minimum occurs at c/a = 1.29. The corresponding equilibrium lattice constants for martensite Ni2FeIn are a = b = 5.5393 Å and c = 7.1457 Å, respectively. In the austenitic phase, E F is located at the peak in the minority DOS for c/a = 0.96 to 1.20, but in the martensitic phase, E F moves to the bottom of the valley in the minority DOS, reducing the value of N(E F) effectively. Both austenitic and martensitic phases are ferromagnetic and the Ni and Fe partial moments contribute mainly to the total moments. Therefore, the martensitic transformation behavior in Ni2FeIn is predicted.

Keywords

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