Modeling oxygen isotope shifts and line-broadening effects of the 502- Raman mode of
- 1 February 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 43 (4) , 2771-2777
- https://doi.org/10.1103/physrevb.43.2771
Abstract
Raman scattering experiments have been carried out on sintered pellets of and , obtained both by gas exchange and by growth with substituted oxides. The frequencies of the modes at 340, 435, and 500 , which involve motion of the oxygen atoms and which shift significantly upon oxygen-isotope substitution, have been measured for several sets of samples. The 500- line of the samples is observed to be isotope shifted to a lesser degree than the 340- and 435- phonons, and is significantly broadened. To model the observed behavior of the 500- mode, a linear chain of O and Cu atoms is used to compute first-order k≃0 Raman cross sections from 400 to 600 . Disorder is introduced by randomly substituting atoms for atoms at positions in the chain corresponding to O(4) in the lattice. Comparison of computed and experimental spectra suggest that the maximum linewidth in the 500- peak occurs for a relative concentration O(4)]/O(4)] between 24% and 36%. In addition, the 502- peak position is found to depend nonlinearly on the relative concentration. The implications of these results are discussed in terms of the currently accepted models for oxygen-isotope exchange in
Keywords
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