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

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.
Authors:
; ;  [1] ;  [2] ;  [3] ;  [4] ;  [5]
  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. (Russian Federation)
  5. Institut de Ciència dels Materials de Barcelona, CSIC, Campus de la UAB, 08193 Bellaterra (Spain)
Publication Date:
OSTI Identifier:
22410017
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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