Dresden 2026 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 40: Oxide Semiconductors: Transport and Spectroscopy
HL 40.10: Talk
Thursday, March 12, 2026, 12:00–12:15, POT/0251
Defect-Induced Resistive Switching in Titanate-based Perovskites — •Parrydeep Kaur Sachdeva1, Wahib Aggoune1,2, and Matthias Scheffler1 — 1The NOMAD Laboratory at FHI of MPG, Berlin — 2Institut für Physik and CSMB, Humboldt-Universität zu Berlin, Berlin
Perovskites possess strong potential for exhibiting ferroelectric resistive switching (RS), a functionality recently realized yet not understood in titanate perovskites [1]. Controlled deviation from stoichiometry has revealed high RS, indicating a defect-mediated origin. Using hybrid functional DFT calculations, we show that the Ti antisite defect (Ti-interstitial with Ca-vacancy) can induce ferroelectricity in CaTiO3 which is an incipient ferroelectric, stabilized in a non-polar state by strong octahedral tilts. The Ti-interstitial atom breaks this balance by its off-center displacement and induces a local polarization. This polarization is switchable between different off-center positions of the defect, with energy barriers in the range of 0.25 eV. Additionally, the Ti antisite defect gives rise to mid-gap states, with a charge density mainly localized around the Ti-interstitial atom. Switching the defect between equivalent off-center positions switches the polarization direction and alters the spatial distribution of the charge state. This can influence the material’s overall response under external stimuli. These results are discussed with respect to the experimentally observed resistive switching in titanate-based perovskites [1], as reported by Leibniz-Institut für Kristallzüchtung (IKZ) Berlin.
[1] A. Baki, et al., Sci. Rep., 11, 7497 (2021).
Keywords: Resistive switching; Defects; Ferroelectric; Perovskite