Ab initio study of the hydrogenation effects on the electronic, chemical, and magnetic structures of CeIrSb
Idioma
en
Article de revue
Este ítem está publicado en
Solid State Sciences. 2011, vol. 13, n° 5, p. 948-952
Elsevier
Resumen en inglés
Hydrogenation of CeIrSb, leading to CeIrSbH, induces changes of the electronic structure that we address within the density functional theory. The ab initio positioning of hydrogen within the structure in slightly distorted ...Leer más >
Palabras clave en inglés
Hydrogen
Intermetallics
Chemical effect
Magnetic materials
Electronic structures DFT