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Title: Investigation of Half-Heusler Compounds RhCrZ (Z = P, As, Sb, Sn): A First Principle Study

Abstract

We have investigated the half-Heusler compounds RhCrZ (Z = P, As, Sb, Sn). The density functional theory (DFT) framework is employed for the study. We have found that structurally these compounds are stable with lattice constants less than 6.00 Å. Elastically, all the compounds are of ductile nature and anisotropic. We have computed their band gaps in both the spin-down and spin-up channels. It is revealed that they have spin-up channels conducting and spin-down channels having a band gap. Furthermore, investigation of optical properties shows that at lower energies compounds are more active.

Authors:
;  [1]
  1. Kohat University of Science and Technology, Department of Physics (Pakistan)
Publication Date:
OSTI Identifier:
22773904
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; ANISOTROPY; DENSITY FUNCTIONAL METHOD; FERROMAGNETIC MATERIALS; HEUSLER ALLOYS; LATTICE PARAMETERS; OPTICAL PROPERTIES; RHODIUM COMPOUNDS

Citation Formats

Ahmad, Rashid, and Mehmood, Nasir. Investigation of Half-Heusler Compounds RhCrZ (Z = P, As, Sb, Sn): A First Principle Study. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4472-Z.
Ahmad, Rashid, & Mehmood, Nasir. Investigation of Half-Heusler Compounds RhCrZ (Z = P, As, Sb, Sn): A First Principle Study. United States. doi:10.1007/S10948-017-4472-Z.
Ahmad, Rashid, and Mehmood, Nasir. Wed . "Investigation of Half-Heusler Compounds RhCrZ (Z = P, As, Sb, Sn): A First Principle Study". United States. doi:10.1007/S10948-017-4472-Z.
@article{osti_22773904,
title = {Investigation of Half-Heusler Compounds RhCrZ (Z = P, As, Sb, Sn): A First Principle Study},
author = {Ahmad, Rashid and Mehmood, Nasir},
abstractNote = {We have investigated the half-Heusler compounds RhCrZ (Z = P, As, Sb, Sn). The density functional theory (DFT) framework is employed for the study. We have found that structurally these compounds are stable with lattice constants less than 6.00 Å. Elastically, all the compounds are of ductile nature and anisotropic. We have computed their band gaps in both the spin-down and spin-up channels. It is revealed that they have spin-up channels conducting and spin-down channels having a band gap. Furthermore, investigation of optical properties shows that at lower energies compounds are more active.},
doi = {10.1007/S10948-017-4472-Z},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 8,
volume = 31,
place = {United States},
year = {2018},
month = {8}
}