New 5d Perovskite BaPtO3 Synthesized under High Pressure

ORAL

Abstract

APtO3 (A = Ca, Sr, Ba) is a unique family in the complex transition metal oxides with the AMO3 formula. Whereas most 3d and 4d AMO3 compounds adopt the perovskite structure when synthesized at ambient or high pressure, there have been no reports in the literature about APtO3 perovskites, even if their geometric tolerance factor t falls in the range suitable for the perovskite structure. BaPtO3 in the APtO3 family has a t > 1 and it adopts the polytype structure if made under ambient pressure. High-pressure synthesis is needed to convert the polytype structures to the perovskite structure which has a higher density. By treating the polytype BaPtO3 under high pressure and high temperature with a laser-heated diamond anvil cell (DAC) above 40 GPa and 1100 K, we have for the first time successfully obtained the perovskite phase BaPtO3 denoted as 3C BaPtO3. The bulk modulus of the 3C BaPtO3 phase of 230 ± 20 GPa is near the high limit of all perovskites. The preferred local structure of the face-shared octahedra in the polytype BaPtO3 appears to be responsible for the unusually high stabilization pressure of the BaPtO3 perovskite. The threshold pressure of 40 GPa for stabilizing BaPtO3 perovskite matches the prediction from density functional theory calculations.

* This research was primarily supported by the National Science Foundation (NSF) through the Center for Dynamics and Control of Materials: an NSF MRSEC under DMR-1720595. The density functional theory calculations performed at the Center for Computational Research at SUNY Buffalo were supported by the NSF under DMR-2132491.

Publication: A planned paper to Physical Review B with the same title

Presenters

  • Hongze Li

    University of Texas at Austin

Authors

  • Hongze Li

    University of Texas at Austin

  • Yanyao Zhang

    Stanford University

  • Jiaming He

    The University of Texas at Austin, University of Texas at Austin

  • Nisha Geng

    State Univ of NY - Buffalo

  • Stella Chariton

    University of Chicago

  • Vitali Prakapenka

    University of Chicago

  • Eva D Zurek

    State Univ of NY - Buffalo

  • Jung-Fu Lin

    University of Texas at Austin

  • Jianshi Zhou

    University of Texas at Austin