TY - JOUR
T1 - Vacant-site octahedral tilings on SrTiO3 (001), the (√13×√13)R33.7° surface, and related structures
AU - Kienzle, D. M.
AU - Becerra-Toledo, A. E.
AU - Marks, L. D.
PY - 2011/4/29
Y1 - 2011/4/29
N2 - The structure of the SrTiO3 (001) (√13×√13) R33.7° surface reconstruction has been determined using transmission electron diffraction combined with direct methods and density functional theory. It has a TiO2-rich surface with a 2D tiling of edge or corner-sharing TiO5□ octahedra. Additionally, different arrangements of these octahedral units at the surface, dictated by local bond-valence sums, form 2D networks that can account for many ordered surface reconstructions as well as disordered glasslike structures consistent with the multitude of structures observed experimentally, and potentially other materials and interfaces.
AB - The structure of the SrTiO3 (001) (√13×√13) R33.7° surface reconstruction has been determined using transmission electron diffraction combined with direct methods and density functional theory. It has a TiO2-rich surface with a 2D tiling of edge or corner-sharing TiO5□ octahedra. Additionally, different arrangements of these octahedral units at the surface, dictated by local bond-valence sums, form 2D networks that can account for many ordered surface reconstructions as well as disordered glasslike structures consistent with the multitude of structures observed experimentally, and potentially other materials and interfaces.
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U2 - 10.1103/PhysRevLett.106.176102
DO - 10.1103/PhysRevLett.106.176102
M3 - Article
C2 - 21635052
AN - SCOPUS:79960639236
SN - 0031-9007
VL - 106
JO - Physical review letters
JF - Physical review letters
IS - 17
M1 - 176102
ER -