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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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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)].

Item Type: Article
Subjects: Q Science > QC Physics
Schools: Research and Enterprise Directorate
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Depositing User: Rosemary Wood
Date Deposited: 27 Mar 2014 15:58
Last Modified: 28 Aug 2021 11:35


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