Electronic structure and possible martensitic transformation in Ni2FeIn alloy

• Autorzy: Gu Y. , Xue F , Zhao G , Liu G. , Liu Y. , Li S.

Identyfikatory

DOI

10.2478/s13536-014-0219-8

• Języki publikacji: EN

Abstrakty

EN

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 A° . 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 °A and c = 7.1457 A° , respectively. In the austenitic phase, EF is located at the peak in the minority DOS for c=a = 0.96 to 1.20, but in the martensitic phase, EF moves to the bottom of the valley in the minority DOS, reducing the value of N(EF ) 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.

Słowa kluczowe

EN

electrical structure; martensitic transformations; first principle calculations

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2014
• Tom: Vol. 32, No. 3
• Strony: 396—401
• Opis fizyczny: Bibliogr. 24 poz., rys., tab., wykr.

Twórcy

autor

Gu Y.

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

autor

Xue F

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

autor

Zhao G

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

autor

Liu G.

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

autor

Liu Y.

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

autor

Li S.

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

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