Abstract
Temperature effect on the valence state of Mn in single crystal YMnO3 is studied using Y3d-, Mn2p-, and O1s-spectra. Mn2p- spectra of Mn3+ and Mn4+ ions at various temperatures are calculated in an isolated ion approximation. Original crystal at room temperature was found to contain only Mn3+ ions, whereas after the temperature treatment (heating in vacuum up to 593K, cooling down back to room temperature and consecutive heating to a given temperature), Mn4+ ions were detected in the crystal. Relative Mn4+/Mn3+ abundances at various final temperatures are determined by fitting the experimental Mn2p spectra with the superposition of theoretical spectra from Mn3+ and Mn4+ ions, and from relative intensities of O1s-spectrum components. Concentration of Mn4+ ions correlates with the distortion of the crystal structure reflected in overstoichiometry of manganese and understoichiometry of oxygen.
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