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- W2321839849 abstract "The (110) surface relaxations are calculated for SrTiO 3 and BaTiO 3 perovskites. The positions of atoms in 16 near-surface layers placed atop a slab of rigid ions are optimized. Strong surface rumpling and surface-induced dipole moments perpendicular to the surface are predicted for both the O-terminated and Ti-terminated surfaces. Calculated optical properties of basic point defects – F -type centres and hole polarons – in KNbO 3 are used for the interpretation of available experimental data." @default.
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- W2321839849 date "2000-01-01" @default.
- W2321839849 modified "2023-09-23" @default.
- W2321839849 title "Computer Modeling of Defects and Surfaces in Advanced Perovskite Ferroelectrics" @default.
- W2321839849 doi "https://doi.org/10.7567/jjaps.39s1.24" @default.
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