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Title: Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys

Abstract

Structural, optical and electronic properties and elastic constants of Cd1{sub -x-y}Zn{sub x} Hg{sub y}Te alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.

Authors:
 [1]
  1. Zirve University Faculty of Education, 27260, Gaziantep (Turkey)
Publication Date:
OSTI Identifier:
22611536
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 6; Journal Issue: 6; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; APPROXIMATIONS; CRYSTAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL METHOD; DIELECTRIC MATERIALS; ELASTICITY; ELECTRICAL PROPERTIES; GADOLINIUM COMPOUNDS; KRAMERS-KRONIG CORRELATION; MERCURY COMPOUNDS; OPTICAL PROPERTIES; PERMITTIVITY; QUATERNARY ALLOY SYSTEMS; REFRACTIVE INDEX; TELLURIUM COMPOUNDS; ZINC COMPOUNDS

Citation Formats

Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr. Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys. United States: N. p., 2016. Web. doi:10.1063/1.4954396.
Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr. Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys. United States. doi:10.1063/1.4954396.
Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr. Wed . "Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys". United States. doi:10.1063/1.4954396.
@article{osti_22611536,
title = {Investigation of structural, electronic, elastic and optical properties of Cd{sub 1-x-y}Zn{sub x}Hg{sub y}Te alloys},
author = {Tamer, M., E-mail: mehmet.tamer@zirve.edu.tr},
abstractNote = {Structural, optical and electronic properties and elastic constants of Cd1{sub -x-y}Zn{sub x} Hg{sub y}Te alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.},
doi = {10.1063/1.4954396},
journal = {AIP Advances},
number = 6,
volume = 6,
place = {United States},
year = {Wed Jun 15 00:00:00 EDT 2016},
month = {Wed Jun 15 00:00:00 EDT 2016}
}