Berlin 2018 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 106: Complex Oxides: Bulk Properties, Surfaces and Interfaces (joint session TT/MA/KFM)
TT 106.12: Talk
Friday, March 16, 2018, 12:30–12:45, H 0110
Electronic signature of the vacancy ordering in NbO (Nb3O3) — Anna K. Efimenko1, Nils Hollmann1, Katharina Hoefer1, Jonas Weinen1, Daisuke Takegami1, Klaus K. Wolff1, Simone G. Altendorf1, Zhiwei Hu1, A. Diana Rata1, Alexander C. Komarek1, Agustinus Nugroho2, Yen-Fa Liao3, Ku-Ding Tsuei3, H. H. Hsieh4, H. -J. Lin3, C. T. Chen3, Liu Hao Tjeng1, and •Deepa Kasinathan1 — 1Max Planck Institute for Chemical Physics of Solids, Dresden, Germany — 2Insitiut Teknologi Bandung, Bandung, Indonesia — 3National Synchrotron Radiation Research Center, Hsinchu, Taiwan — 4Chung Cheng Institute of Technology, Taoyuan, Taiwan
We investigated the electronic structure of the vacancy-ordered 4d-transition metal monoxide NbO (Nb3O3) using angle-integrated soft- and hard-x-ray photoelectron spectroscopies as well as ultra-violet angle resolved photoelectron spectroscopy. We found that density-functional-based band structure calculations can describe the spectral features accurately provided that self-interaction effects are taken into account. In the angle-resolved spectra we were able to identify the so-called vacancy band that characterizes the ordering of the vacancies. This together with the band structure results indicates the important role of the very large inter-Nb-4d hybridization for the formation of the ordered vacancies and the high thermal stability of the ordered structure of niobium monoxide.