X-ray-absorption spectroscopy of Nd3+-exchanged β-alumina crystal

F. Rocca, A. Kuzmin, J. Purans, and G. Mariotto
Phys. Rev. B 53, 11444 – Published 1 May 1996
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Abstract

The results of x-ray-absorption spectroscopy investigations of Nd3+ ions in a nearly fully exchanged (93%) sodium β-alumina crystal are reported. The Nd3+ local environment is reconstructed using a multishell best fit procedure and is compared with existing structural models. The experimental extended x-ray-absorption fine-structure (EXAFS) spectra are also compared with model ab initio FEFF6 calculations based on the x-ray-diffraction data for the Nd3+ ions located at the BR(2d) and interstitial A(6h) sites of β-alumina. Neodymium ions are mainly found near the BR(2d) sites of the conduction plane, where they are strongly bonded to three O(5) oxygens located in the same plane and shifted by ∼0.6 Å from the crystallographic positions occupied in sodium β-alumina. The atoms located at the spinel blocks below and above the conduction plane produce negligible contribution to the total Nd L3 edge EXAFS signal due to the polarization effect and, mainly, to thermal and/or static disorder. The similarity of the local structure around the Nd3+ ions in the β- and β-alumina crystals is also discussed. © 1996 The American Physical Society.

  • Received 5 July 1995

DOI:https://doi.org/10.1103/PhysRevB.53.11444

©1996 American Physical Society

Authors & Affiliations

F. Rocca

  • Centro di Fisica degli Stati Aggregati del Consiglio Nazionale delle Ricerche e Istituto Trentino di Cultura, I-38050 Povo, Trento, Italy

A. Kuzmin and J. Purans

  • Institute of Solid State Physics, University of Latvia, LV-1063 Riga, Latvia

G. Mariotto

  • Istituto Nazionale per la Fisica della Materia and Dipartimento di Fisica, Università di Trento, I-38050 Povo, Trento, Italy

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Vol. 53, Iss. 17 — 1 May 1996

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