Influence of exchange-correlation functional on the structural and electronic properties of periodic structures with transition metal atoms
The influence of the exchange-correlation functional on the crystal fundamental property calculation is shown. CrGeTe3, compound with transition metals, was used for the simulation of structural and electronic properties. The calculations were carried out using such functional classes as LDA and GGA...
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| Main Author: | |
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| Format: | Article |
| Language: | Russian |
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Educational institution «Belarusian State University of Informatics and Radioelectronics»
2022-01-01
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| Series: | Doklady Belorusskogo gosudarstvennogo universiteta informatiki i radioèlektroniki |
| Subjects: | |
| Online Access: | https://doklady.bsuir.by/jour/article/view/3251 |
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