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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 Kasinathan11Max 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.

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