Dresden 2026 – wissenschaftliches Programm

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FM: Fachverband Funktionsmaterialien

FM 9: Focus Session: Materials Discovery II – High throughput searches for functional magnetic materials (joint session FM/MA)

FM 9.2: Vortrag

Dienstag, 10. März 2026, 14:30–14:45, BEY/0138

Potentially magnetic platinum oxides obtained by computationally guided high-pressure synthesis — •Yasuhito Kobayashi¹, Akitoshi Nakano², Shunsuke Kitou³, Tomasz Klimczuk⁴, Hidefumi Takahashi^1,5, and Shintaro Ishiwata^1,5 — ¹Division of Materials Physics, The University of Osaka, Japan — ²Department of Physics, Nagoya University, Japan — ³Department of Advanced Materials Science, The University of Tokyo, Japan — ⁴Advanced Materials Center, Gdansk University of Technology, Poland — ⁵Institute for Open and Transdisciplinary Research Initiatives, The University of Osaka, Japan

The exploration of Pt-based oxides has remained significantly limited, primarily due to the high chemical inertness of platinum and the typically nonmagnetic d⁶ or d⁸ electronic configurations. Here, we report the discovery of a new layered homologous series of Pt-based ternary oxides, Na(PtO₂)_2n+1 (n = 1, 2), synthesized through a combination of highly oxidizing high-pressure techniques and density functional theory (DFT) calculations. This series features unprecedented layered structural motifs composed of rutile-based PtO₆ octahedra and one-dimensional PtO₄ square-planar chains, distinct from the perovskite-based Ruddlesden-Popper oxides. We discuss the possibility that this layered homologous series represents the first realization of a magnetic Mott insulator within Pt-based oxides, where NaPt₃O₆ (n = 1) exhibits localized spin behavior with an effective spin S = 1/2, likely arising from the unusual d⁷ electronic configuration of square-planar Pt³⁺ along with one-dimensional antiferromagnetic interactions.

Keywords: high-pressure synthesis; first-principles calculations; platinum oxides; layered homologous series; magnetism