Force constant calculation from Raman and IR spectra in the three non‐cubic phases of BaCeO<sub>3</sub>

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<jats:title>Abstract</jats:title><jats:p>Raman spectroscopic data for BaCeO<jats:sub>3</jats:sub> were modeled with the use of a small set of force constants in its three phases (<jats:italic>Pnma</jats:italic>, <jats:italic>Imma</jats:italic> and <jats:italic>R</jats:italic><jats:styled-content>3</jats:styled-content><jats:italic>c</jats:italic>) using experimental IR and Raman data. An IR reflectance spectrum of BaCeO<jats:sub>3</jats:sub> in its <jats:italic>Pnma</jats:italic> phase is provided for the first time. Raman band symmetry assignments in the <jats:italic>Pnma</jats:italic> phase were re‐examined and the assignments of Genet <jats:italic>et al.</jats:italic> were confirmed. The distribution of the Raman bands of the <jats:italic>Pnma</jats:italic> phase between the zone center and X point in <jats:italic>Imma</jats:italic> is provided and band assignments were extended to the <jats:italic>Imma</jats:italic> and <jats:italic>R</jats:italic><jats:styled-content>3</jats:styled-content><jats:italic>c</jats:italic> phases. Calculated values for both Raman‐ and IR‐active modes are provided in the three phases. The variations in force constants throughout the phase transitions are briefly discussed. Copyright © 2001 John Wiley & Sons, Ltd.</jats:p>

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