Ruthenium-europium configuration in the Eu2Ru2O7 pyrochlore
Copyright policy )Ruthenium-europium configuration in the Eu2Ru2O7 pyrochlore
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.
- UNSW Sydney Australia
- Spanish National Research Council Spain
- UNIVERSIDADE DE SAO PAULO Brazil
- Universidade Federal de Pernambuco Brazil
- Universidade de Pernambuco Brazil
ELECTRONIC PROPERTIES, MOLECULAR ORBITAL ENERGY, Condensed Matter - Materials Science, HUBBARD, Strongly Correlated Electrons (cond-mat.str-el), RUTHENIUM, MAGNETIC AND ELECTRONIC PROPERTIES, LOCAL SPIN DENSITY APPROXIMATION, ELECTRONIC STRUCTURE, EUROPIUM, ORBITAL HYBRIDIZATION, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, ELECTRONIC BAND STRUCTURE CALCULATION, LSDA + U, Condensed Matter - Strongly Correlated Electrons, MOLECULAR ORBITALS, PYROCHLORES
ELECTRONIC PROPERTIES, MOLECULAR ORBITAL ENERGY, Condensed Matter - Materials Science, HUBBARD, Strongly Correlated Electrons (cond-mat.str-el), RUTHENIUM, MAGNETIC AND ELECTRONIC PROPERTIES, LOCAL SPIN DENSITY APPROXIMATION, ELECTRONIC STRUCTURE, EUROPIUM, ORBITAL HYBRIDIZATION, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, ELECTRONIC BAND STRUCTURE CALCULATION, LSDA + U, Condensed Matter - Strongly Correlated Electrons, MOLECULAR ORBITALS, PYROCHLORES
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