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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Tishk International University
2019-01-01
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| Series: | Eurasian Journal of Science and Engineering |
| Subjects: | |
| Online Access: | http://eajse.org/wp-content/uploads/2015/12/Calculation-of-the-Band-Structure.pdf |