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

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 propert...

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Bibliographic Details
Main Authors: Alfonso Muñoz, Plácida Rodríguez-Hernández
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Crystals
Subjects:
ab initio
garnet
equation of state
elasticity
phonons
Raman
Online Access:https://www.mdpi.com/2073-4352/13/1/29

Internet

https://www.mdpi.com/2073-4352/13/1/29

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