In situ X-ray scattering measurements were made of the surface structures of PbTiO3 (001) in equilibrium with PbO vapour. At 875 to 1025K, a reconstruction having c(2 x 2) symmetry was present under most conditions, while a 1 x 6 reconstruction occurred under PbO-poor conditions. The atomic structure of the c(2 x 2) phase was found to consist of a single layer of an antiferro-distortive structure with oxygen cages counter-rotated by 10° about the titanium ions.

Antiferrodistortive Reconstruction of the PbTiO3(001) Surface. A.Munkholm, S.K.Streiffer, M.V.R.Murty, J.A.Eastman, C.Thompson, O.Auciello, L.Thompson, J.F.Moore, G.B.Stephenson: Physical Review Letters, 2001, 88[1], 016101 (4pp)