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

Abstract

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
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
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

Citation Formats

Muñoz Pérez, S., E-mail: s.munozperez@adfa.edu.au, Cobas, R., Cadogan, J. M., Albino Aguiar, J., Streltsov, S. V., Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Ekaterinburg 620002, and Obradors, X. Ruthenium-europium configuration in the Eu{sub 2}Ru{sub 2}O{sub 7} pyrochlore. United States: N. p., 2015. Web. doi:10.1063/1.4906528.
Muñoz Pérez, S., E-mail: s.munozperez@adfa.edu.au, Cobas, R., Cadogan, J. M., Albino Aguiar, J., Streltsov, S. V., Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Ekaterinburg 620002, & Obradors, X. Ruthenium-europium configuration in the Eu{sub 2}Ru{sub 2}O{sub 7} pyrochlore. United States. doi:10.1063/1.4906528.
Muñoz Pérez, S., E-mail: s.munozperez@adfa.edu.au, Cobas, R., Cadogan, J. M., Albino Aguiar, J., Streltsov, S. V., Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Ekaterinburg 620002, and Obradors, X. Thu . "Ruthenium-europium configuration in the Eu{sub 2}Ru{sub 2}O{sub 7} pyrochlore". United States. doi:10.1063/1.4906528.
@article{osti_22410017,
title = {Ruthenium-europium configuration in the Eu{sub 2}Ru{sub 2}O{sub 7} pyrochlore},
author = {Muñoz Pérez, S., E-mail: s.munozperez@adfa.edu.au and Cobas, R. and Cadogan, J. M. and Albino Aguiar, J. and Streltsov, S. V. and Department of Theoretical Physics and Applied Mathematics, Ural Federal University, Ekaterinburg 620002 and Obradors, X.},
abstractNote = {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.},
doi = {10.1063/1.4906528},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 17,
volume = 117,
place = {United States},
year = {2015},
month = {5}
}