Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/82193
Type: Artigo de periódico
Title: Multiple scattering x-ray photoelectron diffraction study of the SrTiO3(100) surface
Author: Pancotti, A
Barrett, N
Zagonel, LF
Vanacore, GM
Abstract: The atomic surface structure of SrTiO3(100) after annealing at 630 degrees C in vacuum is investigated by x-ray photoelectron diffraction (XPD) using the Sr 3d(5/2) core level. The photoelectron diffraction peaks are successfully assigned by considering the forward scattering of photoelectrons by the atomic potential near the emitter atom in the lattice. The strongest diffraction peaks are aligned along the single crystal internuclear axes. We compare the results of photoelectron multiple scattering calculations (MSC) of SrO and TiO2 terminated SrTiO3(100) surfaces, including surface relaxation and rumpling, with the experimental data. For TiO2 and SrO terminated SrTiO3(100) surfaces, all top-layer cations relax inward, whereas second-layer atoms relax outward. The surface rumpling for SrO- and TiO2-terminated surfaces agrees well with low-energy electron diffraction results. Using a genetic algorithm the best agreement of MSC to the experimental XPD data is obtained for a SrO terminated surface with a 30% coverage of 3 ML SrO(100) islands.
Subject: annealing
genetic algorithms
low energy electron diffraction
strontium compounds
surface structure
X-ray photoelectron spectra
Country: EUA
Editor: Amer Inst Physics
Rights: aberto
Identifier DOI: 10.1063/1.3183938
Date Issue: 2009
Appears in Collections:Unicamp - Artigos e Outros Documentos

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