<abstract xml:lang="en" xmlns="http://www.w3.org/1999/xhtml"><p>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.</p></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.

Electronic structure and possible martensitic transformation in Ni2FeIn alloy

Department of Physics and Electrical Engineering, Handan College, Handan, 056005, P.R.China

School of Material Science and Engineering, Hebei University of Technology, Tianjin, 300130, P.R. China

School of Mathematics and Physics, North China Electric Power University, Baoding, 071003, P.R. China

Materials Science-Poland

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

{"article-title":"Electronic structure and possible martensitic transformation in Ni2FeIn alloy"}

The electronic structure and magnetic properties of Heusler alloys (Ni2FeIn) have been studied by first principle calculations. The possible tetragonal...

Electronic structure and possible martensitic transformation in Ni2FeIn alloy

Publié en ligne: 17 oct. 2014

Pages: 396 - 401

DOI: https://doi.org/10.2478/s13536-014-0219-8

Mots clés
electrical structure, martensitic transformations, first principle calculations

© 2014 Wroclaw University of Technology

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Electronic structure and possible martensitic transformation in Ni2FeIn alloy

Publié en ligne: 17 oct. 2014

Pages: 396 - 401

DOI: https://doi.org/10.2478/s13536-014-0219-8

Mots cléselectrical structure, martensitic transformations, first principle calculations

© 2014 Wroclaw University of Technology

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Mots clés
electrical structure, martensitic transformations, first principle calculations