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Title: High-Pressure and Temperature Dependence of Electronic, Magnetic, Elastic, Thermodynamic, and Transport Properties of Full-Heusler Alloys Co{sub 2}YIn (Y = Nb, Zr)

Abstract

Structural, elastic, magnetic, and electronic properties of Co{sub 2}YIn (Y = Nb, Zr) have been investigated by means of the full-potential linearized augmented plane wave along with generalized gradient approximation + U/modified Becke-Johnson method in the stable Fm-3m phase. The optimized equilibrium lattice parameter in stable phase is 6.1744 Å for Co{sub 2}NbIn and 6.2824 Å for Co{sub 2}ZrIn. We have calculated the spin-resolved density of states for both the alloys to show that the ferromagnetic behavior of Co{sub 2}NbIn is due to the exchange splitting of Co and Nb atoms and due to Co and Zr in Co{sub 2}ZrIn. In spin-up configuration, there is absence of energy gap while an energy gap can be seen in spin-down state for both the alloys exhibiting a half-metallic character. Through the elastic constants and their discussions, we have predicted the elastic behavior of the materials. The quasi-harmonic approximations have been employed to study the pressure- and temperature-dependent thermodynamic properties. The Boltzmann theory is employed to investigate the electronic transport properties of these alloys. The defined material properties may pay as a prime stand for the application of material in spintronics and thermoelectrics.

Authors:
;  [1]
  1. Jiwaji University, School of Studies in Physics (India)
Publication Date:
OSTI Identifier:
22773891
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 8; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; DENSITY OF STATES; ELASTICITY; ELECTRON TRANSFER; ENERGY GAP; HARMONICS; HEUSLER ALLOYS; LATTICE PARAMETERS; PRESSURE DEPENDENCE; PRESSURE RANGE MEGA PA 10-100; TEMPERATURE DEPENDENCE; THERMODYNAMIC PROPERTIES; WAVE PROPAGATION

Citation Formats

Gupta, Dinesh C., E-mail: sosfizix@gmail.com, and Ghosh, Sukriti. High-Pressure and Temperature Dependence of Electronic, Magnetic, Elastic, Thermodynamic, and Transport Properties of Full-Heusler Alloys Co{sub 2}YIn (Y = Nb, Zr). United States: N. p., 2018. Web. doi:10.1007/S10948-017-4498-2.
Gupta, Dinesh C., E-mail: sosfizix@gmail.com, & Ghosh, Sukriti. High-Pressure and Temperature Dependence of Electronic, Magnetic, Elastic, Thermodynamic, and Transport Properties of Full-Heusler Alloys Co{sub 2}YIn (Y = Nb, Zr). United States. doi:10.1007/S10948-017-4498-2.
Gupta, Dinesh C., E-mail: sosfizix@gmail.com, and Ghosh, Sukriti. Wed . "High-Pressure and Temperature Dependence of Electronic, Magnetic, Elastic, Thermodynamic, and Transport Properties of Full-Heusler Alloys Co{sub 2}YIn (Y = Nb, Zr)". United States. doi:10.1007/S10948-017-4498-2.
@article{osti_22773891,
title = {High-Pressure and Temperature Dependence of Electronic, Magnetic, Elastic, Thermodynamic, and Transport Properties of Full-Heusler Alloys Co{sub 2}YIn (Y = Nb, Zr)},
author = {Gupta, Dinesh C., E-mail: sosfizix@gmail.com and Ghosh, Sukriti},
abstractNote = {Structural, elastic, magnetic, and electronic properties of Co{sub 2}YIn (Y = Nb, Zr) have been investigated by means of the full-potential linearized augmented plane wave along with generalized gradient approximation + U/modified Becke-Johnson method in the stable Fm-3m phase. The optimized equilibrium lattice parameter in stable phase is 6.1744 Å for Co{sub 2}NbIn and 6.2824 Å for Co{sub 2}ZrIn. We have calculated the spin-resolved density of states for both the alloys to show that the ferromagnetic behavior of Co{sub 2}NbIn is due to the exchange splitting of Co and Nb atoms and due to Co and Zr in Co{sub 2}ZrIn. In spin-up configuration, there is absence of energy gap while an energy gap can be seen in spin-down state for both the alloys exhibiting a half-metallic character. Through the elastic constants and their discussions, we have predicted the elastic behavior of the materials. The quasi-harmonic approximations have been employed to study the pressure- and temperature-dependent thermodynamic properties. The Boltzmann theory is employed to investigate the electronic transport properties of these alloys. The defined material properties may pay as a prime stand for the application of material in spintronics and thermoelectrics.},
doi = {10.1007/S10948-017-4498-2},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 8,
volume = 31,
place = {United States},
year = {2018},
month = {8}
}