Ab initio calculations of structural, elastic, electronic and thermodynamic properties of the cerium filled skutterudite CeRu₄P₁₂ under the effect of pressure

Publicado en línea: 06 ene 2016

Páginas: 699 - 708

Recibido: 04 oct 2014

Aceptado: 09 oct 2015

DOI: https://doi.org/10.1515/msp-2015-0119

Palabras clave

ab-initio calculations, GGA, density functional theory, CeRuP, elastic properties, thermal properties

© 2015 Mokhtar Berrahal et al., published by De Gruyter Open

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.