Journal
PHYSICAL REVIEW B
Volume 85, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.125136
Keywords
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Funding
- Agence Nationale de la Recherche [ANR-07-BLAN-0265-01]
- Universite Lille 1
- CPER Nord-Pas-de-Calais/FEDER
- France Grille
- CNRS
- CRI-Lille 1 center
- Agence Nationale de la Recherche (ANR) [ANR-07-BLAN-0265] Funding Source: Agence Nationale de la Recherche (ANR)
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We report on the study of a set of rhenium oxide reference compounds (NH(4)eO(4), NaReO4, ReO3, ReO2, and Re2O7) using x-ray-absorption near-edge structure. The parallel use of Re L-1 and L-3 absorption edges permits a concomitant understanding of both the oxidation state and the local symmetry for these compounds. Experiments are compared with ab initio simulations. A good agreement is reached in most cases. The choice of the cluster size and the calculation method (full potential or not), which are mandatory ingredients allowing a satisfactory reproduction of the recorded spectra, is discussed in detail. In the meantime, these parameters give important pieces of information on the studied materials.
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