First-Principle Study of Ca<sub>3</sub>Y<sub>2</sub>Ge<sub>3</sub>O<sub>12</sub> Garnet: Dynamical, Elastic Properties and Stability under Pressure
We present here an ab initio study under the framework of the Density Functional Theory of the Ca<sub>3</sub>Y<sub>2</sub>Ge<sub>3</sub>O<sub>12</sub> garnet. Our study focuses on the analysis of the structural, electronic, dynamic, and elastic properties of this material under hydrostatic pressure....
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI AG
2022-12-01
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| Series: | Crystals |
| Assuntos: | |
| Acceso en liña: | https://www.mdpi.com/2073-4352/13/1/29 |
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