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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 Schell^2,3, Thien Thanh Dang³, Cornelia Noll⁴, Reinhard Beck⁴, Ulli Köster⁵, Ronaldo Mansano⁶, Peter Blöchl^1,7, 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.