TY - JOUR
T1 - Ferrielectric twin walls in CaTiO3
AU - Goncalves-Ferreira, Liliana
AU - Redfern, Simon A.T.
AU - Artacho, Emilio
AU - Salje, Ekhard K.H.
PY - 2008/8/27
Y1 - 2008/8/27
N2 - Sizeable spontaneous polarization has been found in the (100) twin walls of CaTiO3, a definitely nonpolar material. Theoretical simulations of these walls show an extremely rich texture of the local polarization at and close to the walls, including a strong antiferroelectric component, and local nonzero contributions perpendicular to the wall plane, which do not contribute to the net dipole. Individual Ti displacements of 2pm off the octahedron center give rise to a net polarization corresponding to a displacement of 0.6pm in the direction of the bisector of the twin angle.
AB - Sizeable spontaneous polarization has been found in the (100) twin walls of CaTiO3, a definitely nonpolar material. Theoretical simulations of these walls show an extremely rich texture of the local polarization at and close to the walls, including a strong antiferroelectric component, and local nonzero contributions perpendicular to the wall plane, which do not contribute to the net dipole. Individual Ti displacements of 2pm off the octahedron center give rise to a net polarization corresponding to a displacement of 0.6pm in the direction of the bisector of the twin angle.
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U2 - 10.1103/PhysRevLett.101.097602
DO - 10.1103/PhysRevLett.101.097602
M3 - Article
AN - SCOPUS:50649125409
SN - 0031-9007
VL - 101
JO - Physical Review Letters
JF - Physical Review Letters
IS - 9
M1 - 097602
ER -