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

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

The paper presents an investigation on crystalline, elastic and electronic structure in addition to the thermodynamic properties for a CeRu4P12 filled skutterudite device by using the full-potential linear muffin-tin orbital (FP-LMTO) method within the generalized gradient approximations (GGA) in th...

Full description

Bibliographic Details
Main Authors: Berrahal Mokhtar, Ameri Mohammed, Al-Douri Y., Hashim U., Varshney Dinesh, Ameri Ibrahim, Boubchir Mohamed, Abderrahim Bennadji
Format: Article
Language:English
Published: Sciendo 2015-12-01
Series:Materials Science-Poland
Subjects:
ab-initio calculations
gga
density functional theory
ceru4p12
elastic properties
thermal properties
Online Access:https://doi.org/10.1515/msp-2015-0119

Internet

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

Similar Items