Relaxation of Ti O2(110)-(1x1) Using Surface X-ray Diffraction

Surface x-ray diffraction has been used to determine the structural relaxations of TiO 2 (110)−(1×1) . The magnitudes range from 0 to 0.27 Å, leading to rumpling of the titanium planes. The data are compared to the results of three independent calculations of the energy minimized structure. Excellent agreement is achieved with the positions of titanium atoms predicted by Ramamoorthy et al. [Phys. Rev. B 49, 16 721 (1994)].