Comparative Hybrid Hartree-Fock-DFT Calculations of WO<sub>2</sub>-Terminated Cubic WO<sub>3</sub> as Well as SrTiO<sub>3</sub>, BaTiO<sub>3</sub>, PbTiO<sub>3</sub> and CaTiO<sub>3</sub> (001) Surfaces
We performed, to the best of our knowledge, the world’s first first-principles calculations for the WO<sub>2</sub>-terminated cubic WO<sub>3</sub> (001) surface and analyzed the systematic trends in the WO<sub>3</sub>, SrTiO<sub>3</sub>, BaTiO<sub>3</sub>, PbTiO<sub>3</sub> and CaTiO<sub>3</sub> (00...
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| Autors principals: | , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2021-04-01
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| Col·lecció: | Crystals |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/2073-4352/11/4/455 |
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