Ruthenium-europium configuration in the Eu{sub 2}Ru{sub 2}O{sub 7} pyrochlore

Journal Article · Thu May 07 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4906528· OSTI ID:22410017

Cobas, R.; Cadogan, J. M. ^[1]; Albino Aguiar, J. ^[2]; Streltsov, S. V. ^[3]; Obradors, X. ^[4]

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1. School of Physical, Environmental and Mathematical Sciences, University of New South Wales, Canberra, ACT 2610 (Australia)
2. Departmento de Fisica, Universidade Federal de Pernambuco, Av. Prof. Luis Freire, s/n, 50670-901, Recife-PE (Brazil)
3. Institute of Metal Physics, Ekaterinburg 620219 (Russian Federation)
4. Institut de Ciència dels Materials de Barcelona, CSIC, Campus de la UAB, 08193 Bellaterra (Spain)

The magnetic and electronic properties of Eu{sub 2}Ru{sub 2}O{sub 7} 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.

• OSTI ID: 22410017
• Journal Information: Journal of Applied Physics, Vol. 117, Issue 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
APPROXIMATIONS
ELECTRONIC STRUCTURE
ENERGY LEVELS
EUROPIUM
EUROPIUM COMPOUNDS
HUBBARD MODEL
LIGANDS
MAGNETIC PROPERTIES
MOLECULAR ORBITAL METHOD
PYROCHLORE
RUTHENIUM
RUTHENIUM OXIDES