First principles calculations of mechanical, electronic, thermoelectric and thermal properties of ZnCu
The structural, elastic, electronic, thermoelectric, and thermal properties of ZnCu were investigated using Density Functional Theory (DFT). The Perdew–Burke–Ernzerhof (PBE) exchange-correlation functional within the Generalized Gradient Approximation (GGA) was employed in the Quantum ESPRESSO pack...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Department of Physics, Mahendra Morang Adarsh Multiple Campus, Tribhuvan University
2025-05-01
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| Series: | Bibechana |
| Subjects: | |
| Online Access: | https://www.nepjol.info/index.php/BIBECHANA/article/view/79223 |
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