The surface relaxations of the rutile $\mathrm{Ti}{\mathrm{O}}_2\left(110\right)(1\times 1)$ clean surface have been determined by $\mathrm{O}1\mathrm{s}$ and $\mathrm{Ti}2p_{3∕2}$ scanned-energy mode photoelectron diffraction. The results are in excellent agreement with recent low-energy electron diffraction (LEED) and medium energy ion scattering (MEIS) results, but in conflict with the results of some earlier investigations including one by surface x-ray diffraction. In particular, the bridging O atoms at the surface are found to relax outward, rather than inward, relative to the underlying bulk. Combined with the recent LEED and MEIS results, a consistent picture of the structure of this surface is provided. While the results of the most recent theoretical total-energy calculations are qualitatively consistent with this experimental consensus, significant quantitative differences remain.

• Received 15 January 2007

DOI:https://doi.org/10.1103/PhysRevB.75.195413