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Title: Ab-initio calculation of ZnGeAs{sub 2} semiconductor

The structural, electronic, optical and elastic properties of ZnGeAs{sub 2} semiconductor have been investigated using pseudopotential plane wave method within the density functional theory (DFT). The optimized lattice constants, energy gap and crystal field splitting parameter are calculated. The optical properties such as dielectric function, optical reflectivity,, extinction coefficient, absorption spectra, refractive index and electron energy loss spectrum have been studied. The values of bulk modulus (B), elastic constants (C{sub ij}), Young’s modulus (Y), Zener anisotropic factor (A), Poisson’s ratio (ν) and Debye temperature (Θ{sub D}) have been calculated. The calculated values of all these parameters are compared with the available experimental values and the values reported by different workers. A fairly good agreement has been found between them.
Authors:
;  [1]
  1. Department of Electronics Engineering, Indian School of Mines, Dhanbad 826004 (India)
Publication Date:
OSTI Identifier:
22269234
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1591; Journal Issue: 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION SPECTRA; ANISOTROPY; CRYSTAL FIELD; DEBYE TEMPERATURE; DENSITY FUNCTIONAL METHOD; DIELECTRIC MATERIALS; ELASTICITY; ENERGY GAP; ENERGY-LOSS SPECTROSCOPY; LATTICE PARAMETERS; REFLECTIVITY; REFRACTIVE INDEX; SEMICONDUCTOR MATERIALS; WAVE PROPAGATION