Regensburg 2022 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 7: Microstructures and Phase Transformations: Oxides & Perovskites
MM 7.3: Vortrag
Montag, 5. September 2022, 16:15–16:30, H45
A particular EFG temperature dependence for 181-Ta(TiO2): An electron-gamma TDPAC study — •Ian Chang Jie Yap1, Juliana Schell2,3, Thien Thanh Dang3, Cornelia Noll4, Reinhard Beck4, Ulli Köster5, Ronaldo Mansano6, Peter Blöchl1,7, and Hans Christian Hofsäss1 — 1Georg-August Universität Göttingen — 2European Organization for Nuclear Research (CERN) — 3Institute for Materials Science and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen — 4Helmholtz-Institut für Strahlen- und Kernphysik, University of Bonn — 5Institut Laue-Langevin — 6Escola Politécnica, Universidade de São Paulo — 7Technische Universität Clausthal, Institute of Theoretical Physics
In this work, we report on the hyperfine parameters of the implanted 181Ta probe in the rutile structure of the single crystal TiO2 using the e - γ time differential perturbed angular correlation (e - γ TDPAC) technique. The experiments were performed under vacuum within the temperature range of 50 K - 427 K. The hyperfine parameters that are obtained from the e - γ TDPAC spectroscopy agrees with that of the γ - γ TDPAC spectroscopy at room temperature, apart from a calibration factor, both from our experiments and literature. Surprisingly, we have detected a parabolic increase of Vzz with a concave curvature at the low-temperature regime (50 K - 427 K), as opposed to the linear increase at the high-temperature regime (600 K - 1200 K) as found in the literature. Hence, we are performing DFT calculations on Ta-doped TiO2 over a broad temperature range to obtain deeper insights.