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Title: Structural and electronic properties of GaAs and GaP semiconductors

The Structural and Electronic properties of Zinc Blende phase of GaAs and GaP compounds are studied using self consistent SIESTA-code, pseudopotentials and Density Functional Theory (DFT) in Local Density Approximation (LDA). The Lattice Constant, Equillibrium Volume, Cohesive Energy per pair, Compressibility and Band Gap are calculated. The band gaps calcultated with DFT using LDA is smaller than the experimental values. The P-V data fitted to third order Birch Murnaghan equation of state provide the Bulk Modulus and its pressure derivatives. Our Structural and Electronic properties estimations are in agreement with available experimental and theoretical data.
Authors:
 [1] ;  [2]
  1. Guru Nanak College for girls, Sri Muktsar Sahib, Punjab (India)
  2. Department of Physics, Panjab University, Chandigarh-160014 (India)
Publication Date:
OSTI Identifier:
22391696
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1661; Journal Issue: 1; Conference: ICCMP 2014: International Conference on Condensed Matter Physics 2014, Shimla (India), 4-6 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; APPROXIMATIONS; COMPRESSIBILITY; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; ENERGY GAP; EQUATIONS OF STATE; GALLIUM ARSENIDES; GALLIUM PHOSPHIDES; LATTICE PARAMETERS; POTENTIALS; S CODES; SEMICONDUCTOR MATERIALS