First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S
| Autor: | Anton V, Domnin, Andrei V, Bandura, Robert A, Evarestov |
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| Rok vydání: | 2019 |
| Zdroj: | Journal of computational chemistry. 41(8) |
| ISSN: | 1096-987X |
| Popis: | Comparative hybrid density functional calculations on the structure, stability, and phonon frequencies of monolayers and single-walled nanotubes are performed for Zr(Hf)S |
| Databáze: | OpenAIRE |
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