Title

Dynamical instability and Fermi surface topology in Ni₂FeGa from first principles

Authors

Satyananda Chabungbam, Institute of Advanced Study in Science and Technology, Gauhati University
Gowtham S, Michigan Technological UniversityFollow
Munima Sahariah, Institute of Advanced Study in Science and Technology

Document Type

Article

Publication Date

2-18-2014

Abstract

The phonon spectrum of stoichiometric Heusler alloy Ni₂FeGa is calculated for the high-temperature cubic austenite phase by using first-principles density functional perturbation theory. We also compute the elastic constants of the alloy from the initial slopes of the acoustic phonon branch. The TA₂ phonon branch along [110] direction shows softening with a minimum dip at ζ=0.58 which indicates the possibility of modulated phases prior to martensitic transformation. We also map the Fermi surface of this alloy both in 3D and 2D to check the presence of any nesting vectors. The observed nesting parameter is in good agreement with the above value of the wave vector in the [110] direction where phonon softening occurs.

Publisher's Statement

©2014 American Physical Society. Publisher's version of record: http://dx.doi.org/10.1103/PhysRevB.89.085114

Publication Title

Physical Review B

Recommended Citation

Chabungbam, S., S, G., & Sahariah, M. (2014). Dynamical instability and Fermi surface topology in Ni₂FeGa from first principles. Physical Review B, 89(8), 085114-1-085114-6. http://doi.org/10.1103/PhysRevB.89.085114
Retrieved from: https://digitalcommons.mtu.edu/data-science-fp/10

Version

Publisher's PDF