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Raman and infrared spectra of doped La8+xSr2−y(SiO4)6O2+δ compounds compared to the ab initio‐obtained spectroscopic characteristics of fully stoichiometric La8Sr2(SiO4)6O2 |
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| Authors: | M. Smirnov,S. Sukhomlinov,A. Mirgorodsky,O. Masson,E. Bé chade,M. Colas,T. Merle‐Mé jean,I. Julien,P. Thomas |
| Abstract: | Vibrational spectroscopy data were used to gain insight into the possible locations of extra oxygen ions introduced into La8+xSr2−y(SiO4)6O2+δ compounds to raise their ionic conductivity. Perturbations observed in the Raman and infrared spectra of these compounds with increasing δ were explained by using the ab initio calculation results for the fully stoichiometric (x = y = δ = 0) lattice. This allowed the inference that the extra oxygen ions are incorporated into La O tunnel‐like fragments inherent in the studied structures. Copyright © 2010 John Wiley & Sons, Ltd. |
| Keywords: | oxide ion conductivity lanthanum silicate infrared spectrum Raman spectrum computer modeling density functional theory |