0000000000352152

AUTHOR

A. M. Flank

showing 2 related works from this author

Tetrahedral versus octahedral Mn site coordination in wurtzite and rocksalt Zn1−xMnxO investigated by means of XAS experiments under high pressure

2007

Abstract We present the results of x-ray absorption measurements carried out in Zn 1− x Mn x O thin films under high pressure. The Mn environment remains essentially the same for nominal Mn concentrations given by x = 0.05 , 0.1, 0.15 and 0.25. Both the XANES (X-ray Absorption Near Edge Structure) and EXAFS (Extended X-ray Absorption Fine Structure) indicate that Mn occupies the Zn site, being surrounded by four oxygen atoms at 2.02±0.01 A. The substitutional hypothesis is reinforced by comparing the differences between the ambient (wurtzite) and high pressure (rocksalt) spectra, which correspond to tetrahedral and octahedral Mn environments.

010302 applied physicsX-ray absorption spectroscopyMaterials scienceExtended X-ray absorption fine structure02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesXANESSpectral lineX-ray absorption fine structureCrystallographyOctahedron0103 physical sciencesGeneral Materials ScienceElectrical and Electronic EngineeringAbsorption (chemistry)0210 nano-technologyWurtzite crystal structureSuperlattices and Microstructures
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Defect States at theTiO2(110)Surface Probed by Resonant Photoelectron Diffraction

2008

The charge distribution of the defect states at the reduced ${\mathrm{TiO}}_{2}(110)$ surface is studied via a new method, the resonant photoelectron diffraction. The diffraction pattern from the defect state, excited at the $\mathrm{Ti}\mathrm{\text{\ensuremath{-}}}2p\mathrm{\text{\ensuremath{-}}}3d$ resonance, is analyzed in the forward scattering approach and on the basis of multiple scattering calculations. The defect charge is found to be shared by several surface and subsurface Ti sites with the dominant contribution on a specific subsurface site in agreement with density functional theory calculations.

DiffractionMaterials scienceScatteringForward scatterGeneral Physics and AstronomyCharge densityCharge (physics)02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesResonance (particle physics)0104 chemical sciencesExcited stateDensity functional theoryAtomic physics0210 nano-technologyPhysical Review Letters
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