Surface enhanced covalency and Madelung potentials in Nb doped SrTiO3 (100), (110) and (111) single crystals
作者： G.M. Vanacore , L.F. Zagonel , N. Barrett
DOI: 10.1016/J.SUSC.2010.06.012
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摘要: Abstract The influence of surface enhanced covalency on the Madelung potential is experimentally investigated using angle-resolved photoemission for (100), (110) and (111) SrTiO3 surfaces after annealing in UHV at 630 °C. Deconvolution core level spectra (O 1s, Sr 3d Ti 2p) distinguishes bulk components, which are interpreted terms (SEC). By comparing measured binding energies with theoretical calculations developed framework Localized-Hole Point-Ion Model, we quantitatively determine effective electron occupancy sites. Our results confirm essentially ionic character Sr–O bond partially covalent Ti–O STO. cation occupation greater all three than bulk. Surface shifts by ΔEM. ΔEM a minimum surface, increases through attaining maximum (110). valence band work function values also this trend. consistent d–d charge fluctuations dominating whereas metal-ligand transfers more energetically favourable
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