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- W2115859844 abstract "We have studied the atomic structure of [001]90° rotation twin walls in orthorhombic CaTiO3 (symmetry Pbnm) at low temperature (10 K) and their effects on oxygen vacancies. The wall thickness was found to be 2.3 nm at T ≪ Tc and it was found that it is energetically favourable for such vacancies to reside in the wall, particularly when bridging titania ions in the (001) plane. The binding energy of an oxygen vacancy in the wall with respect to the bulk is calculated to be ≤ 1.2 eV." @default.
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- W2115859844 date "2003-03-31" @default.
- W2115859844 modified "2023-10-09" @default.
- W2115859844 title "Trapping of oxygen vacancies on twin walls of CaTiO<sub>3</sub>: a computer simulation study" @default.
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- W2115859844 doi "https://doi.org/10.1088/0953-8984/15/14/305" @default.
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