Charlton, G., Howes, P.B, Nicklin, C.L., Steadman, P., Taylor, J.S.G., Muryn, C.A., Harte, S.P., Mercer, J., McGrath, R., Norman, D., Turner, Tracy and Thornton, G (1997) Relaxation of Ti O2(110)-(1x1) Using Surface X-ray Diffraction. Physical Review Letters, 78 (3). pp. 495-498. ISSN 0031-9007
Abstract

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)].

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