Antiferrodistortive reconstruction of the PbTiO3(001) surface -: art. no. 016101

We present in situ x-ray scattering measurements of the surface structures of PbTiO3 (001) in equilibrium with PbO vapor. At 875 to 1025 K, a reconstruction having c(2 x 2) symmetry is present under most conditions, while a 1 x 6 reconstruction occurs under PbO-poor conditions. The atomic structure of the c(2 x 2) phase is found to consist of a single layer of an antiferrodistortive structure with oxygen cages counter-rotated by 10degrees about the titanium ions.