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

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; Thornton, G

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

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

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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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URI:

https://eprints.hud.ac.uk/id/eprint/19608

Title:

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

Creators:

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

Identification Number:

10.1103/PhysRevLett.78.495

Official URL:

http://link.aps.org/doi/10.1103/PhysRevLett.78.495

Date:

January 1997

Subjects:

Q Science > QC Physics

Schools:

Research and Enterprise Directorate

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