Lattice dynamics of perovskite PbxCa1-xTiO 3

Shou Yi Kuo*, Chung Ting Li, Wen Feng Hsieh

*Corresponding author for this work

Research output: Contribution to journalJournal Article peer-review

27 Scopus citations


Investigation of the structural and vibrational properties of the Pb xCa1-xTiO3 (PCT) system exhibits two phase transitions in the range of x=0-1 by using x-ray powder diffraction and Raman spectroscopy. The first transition occurring at x∼0.65 corresponds to the tetragonal-to-cubic phase and the second one occurs near x=0.35 is attributed to the orthorhombic-to-cubic phase. The absence of the intermediate tetragonal phase between orthorhombic and cubic phases (0<x<0.35) may be mostly attributed to the very restricted region in the PCT system. In addition, a decreasing giant LO-TO splitting behavior similar to that exhibited in Pb xSr1-xTiO3 system for lower Pb concentration was also observed, which has been attributed to the highly Pb-O covalent bonding to reduce the long-range Coulomb interaction. Comparison of the change of line shapes of A1 (1TO) mode among three PbTiO3-based perovskites indicates that the anharmonicity will become more conspicuous due to the larger high-order potential terms of Ba2+ and Ca2+ substitution than Sr2+ substitution for Pb2+.

Original languageEnglish
Article number184104
Pages (from-to)184104-1-184104-6
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number18
StatePublished - 05 2004
Externally publishedYes


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