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Title: Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys

Abstract

Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within generalized gradient approximation for exchange correlation functions. Values of formation energy and elastic constants verify the stability of these alloys. True half metallic ferromagnetic behaviour with 100% spin polarization and good band gap in the minority spin are obtained for all the alloys. Magnetic moment of these alloys is 4.00 μ{sub B}, which matches well with the value predicted from Slater-Pauling rule. Half-metallicity is maintained over a wide range of lattice constants making these alloys promising for spintronics device applications.

Authors:
; ;  [1];  [2];  [1]
  1. Mohanlal Sukhadia University, Department of Physics (India)
  2. Geetanjali Institute of Technical Studies, Department of Physics (India)
Publication Date:
OSTI Identifier:
22773905
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; APPROXIMATIONS; CORRELATION FUNCTIONS; DENSITY FUNCTIONAL METHOD; ELASTICITY; ELECTRONIC STRUCTURE; FORMATION HEAT; HEUSLER ALLOYS; LATTICE PARAMETERS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; METALLICITY; SPIN ORIENTATION

Citation Formats

Jain, Rakesh, Jain, Vivek Kumar, Chandra, Aarti R., Jain, Vishal, and Lakshmi, N., E-mail: nlakshmi@mlsu.ac.in. Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4460-3.
Jain, Rakesh, Jain, Vivek Kumar, Chandra, Aarti R., Jain, Vishal, & Lakshmi, N., E-mail: nlakshmi@mlsu.ac.in. Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys. United States. doi:10.1007/S10948-017-4460-3.
Jain, Rakesh, Jain, Vivek Kumar, Chandra, Aarti R., Jain, Vishal, and Lakshmi, N., E-mail: nlakshmi@mlsu.ac.in. Wed . "Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys". United States. doi:10.1007/S10948-017-4460-3.
@article{osti_22773905,
title = {Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys},
author = {Jain, Rakesh and Jain, Vivek Kumar and Chandra, Aarti R. and Jain, Vishal and Lakshmi, N., E-mail: nlakshmi@mlsu.ac.in},
abstractNote = {Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within generalized gradient approximation for exchange correlation functions. Values of formation energy and elastic constants verify the stability of these alloys. True half metallic ferromagnetic behaviour with 100% spin polarization and good band gap in the minority spin are obtained for all the alloys. Magnetic moment of these alloys is 4.00 μ{sub B}, which matches well with the value predicted from Slater-Pauling rule. Half-metallicity is maintained over a wide range of lattice constants making these alloys promising for spintronics device applications.},
doi = {10.1007/S10948-017-4460-3},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 8,
volume = 31,
place = {United States},
year = {2018},
month = {8}
}