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

Journal Article · Wed Jun 15 00:00:00 EDT 2016 · AIP Advances

DOI:https://doi.org/10.1063/1.4954396· OSTI ID:22611536

Tamer, M., E-mail: [e-mail] ^[1]

---

1. Zirve University Faculty of Education, 27260, Gaziantep (Turkey)

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.

• OSTI ID: 22611536
• Journal Information: AIP Advances, Vol. 6, Issue 6; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 2158-3226
• Country of Publication: United States
• Language: English

Related Subjects

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