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Electronic structure of amorphous niobium oxide prepared by a sputtering method was investigated based on optical absorption and photoelectron spectroscopies. In the valence band photoelectron spectra, broad peaks without any characteristic components were observed. Then, theoretical calculations based on a density functional theory were performed to interpret the experimental spectra by using three Nb2O5 polymorphs. Among the polymorphs, M-phase with tetragonal structure showed better reproducibility than the other Band R-phases with monoclinic structure. It was finally concluded that the amorphous niobium oxide had a similar electronic structure to M-Nb2O5, and it was supposed that the broad feature in the photoelectron spectra was due to the broad distribution of Nb­O bonds in NbO6 polyhedra, which was characteristic in M-Nb2O5. ©2016 The Ceramic Society of Japan. All rights reserved.

journal of the ceramic society of japan

Investigation of electronic structure of amorphous niobium oxide based on the density functional theory calculation of crystalline niobium pentoxide polymorphs