Physics – Condensed Matter – Other Condensed Matter
Scientific paper
2011-10-10
Physics
Condensed Matter
Other Condensed Matter
16 pages, 6 figures
Scientific paper
A comparative analysis of the structural phase transitions of EuTiO3 and SrTiO3 (at TS = 282 and 105 K, respectively) is made on the basis of phonon-dispersion and density functional calculations. The phase transition of EuTiO3 is predicted to arise from the softening of a transverse acoustic zone-boundary mode caused by the rotations of the TiO6 octahedra, as also found for the phase transition of SrTiO3. While the temperature dependence of the soft mode is similar in both compounds, their elastic properties differ drastically due to a large difference in the double-well potentials associated with the soft zone boundary-acoustic mode.
Bettis Jerry L.
Bishop Alan R.
Bussmann-Holder Annette
Köhler Jürgen
Whangbo Myung-Hwan
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