Structural and electronic properties of GaAs and GaP semiconductors

Journal Article · Fri May 15 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4915369· OSTI ID:22391696

Rani, Anita ^[1]; Kumar, Ranjan ^[2]

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1. Guru Nanak College for girls, Sri Muktsar Sahib, Punjab (India)
2. Department of Physics, Panjab University, Chandigarh-160014 (India)

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.

• OSTI ID: 22391696
• Journal Information: AIP Conference Proceedings, Vol. 1661, 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); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

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