Calculation of the Band Structure for GaAs and ZnTe Nanoparticles from the Density Functional Theory Based on LDA, GGA and HSE06

Calculation of the Band Structure for GaAs and ZnTe Nanoparticles from the Density Functional Theory Based on LDA, GGA and HSE06

The energy band structure and density of state (DOS) are calculated using density functional theory (DFT) for GaAs and ZnTe semiconductors for both the bulk and nanoparticles (NPs) and implemented in the CASTEP code. The calculations are employed within the local density approximation (LDA), general...

Full description

Bibliographic Details
Main Authors: Botan Jawdat Abdullah, Mustafa Saeed Omar
Format: Article
Language:English
Published: Ishik University 2019-01-01
Series:Eurasian Journal of Science and Engineering
Subjects:
Nanoparticles
Energy Band Gap
Density of States
Density Functional Theory
HSE06
Online Access:http://eajse.org/wp-content/uploads/2015/12/Calculation-of-the-Band-Structure.pdf

Internet

http://eajse.org/wp-content/uploads/2015/12/Calculation-of-the-Band-Structure.pdf

Similar Items