Ruthenium-europium configuration in the Eu2Ru2O7 pyrochlore

Abstract

The magnetic and electronic properties of Eu2Ru2O7 are discussed in terms of the local ruthenium and europium coordination, electronic band structure calculations, and molecular orbital energy levels. A preliminary electronic structure was calculated within the local density approximation (LDA) and local spin density approximation taking in to account on-site Hubbard U (LSDA + U). The molecular orbital energy level diagrams have been used to interpret the Eu-Ru ligand spectrum and the ensuing magnetic properties. The orbital hybridizations and bonds are discussed. © 2015 AIP Publishing LLC.