Occupation of tetrahedral and octahedral interstices in rare earth hydrides as a probe for the electronic structure

Abstract

The occupation of tetrahedral and octahedral interstices of hydrogen atoms in rare earth (RE) metal hydrides is considered to be a sensitive probe for d electrons. Octahedral interstices are occupied with a concomitant depletion of electrons in the e g orbitals for [H] [RE] ≳ 1.9 . The loss of d electrons is correlated with a decrease in conductivity, a change in magnetic ordering and a decrease in the volume. The change in the metal matrix can be explained by repulsive interactions of hydrogen atoms.