Ground state structural, lattice dynamic, thermodynamic and optical properties of the Ba₂CaMoO₆ ordered perovskite
Ab-initio calculations based on density functional theory have been performed to establish the ground state properties for the double perovskite type material Ba₂CaMoO₆. The calculations were carried out through the Projector Augmented Wave Method and the exchange and correlation was described using...
Guardado en:
| Autores principales: | Deluque Toro, Críspulo Enrique, Vergara, V. E., Gil Rebaza, Arles Víctor, Landínez Téllez, David Arsenio, Roa-Rojas, Jairo |
|---|---|
| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
2023
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/160107 |
| Aporte de: |
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