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

DOI Web Site 被引用文献2件 参考文献24件
  • OKI Chinatsu
    Graduate School of Environmental and Life Science, Okayama University
  • SAJIKI Go
    Technological, Educational Supporting Center in Takamatsu, Kagawa National College of Technology
  • SAKIDA Shinichi
    Graduate School of Environmental and Life Science, Okayama University
  • BENINO Yasuhiko
    Graduate School of Environmental and Life Science, Okayama University
  • NANBA Tokuro
    Graduate School of Environmental and Life Science, Okayama University

抄録

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 B- and 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 Nb–O bonds in NbO6 polyhedra, which was characteristic in M-Nb2O5.

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