Strontium ferrite (Sr<sub>2</sub>FeO<sub>4</sub>) under pressure: Potential analog to strontium ruthenate (Sr<sub>2</sub>RuO<sub>4</sub>)

ORAL

Abstract

As an alternative platform to unravel some of the perplexing characteristics of strontium ruthenate, we propose to study the isostructural and more correlated material strontium ferrite. Using density functional theory combined with dynamical mean-field theory, we attribute the experimentally observed insulating behaviour at zero pressure to strong local electronic correlations generated by Mott and Hund's physics. At high pressure, our simulations reproduce the reported insulator-to-metal transition around 18 GPa. Along with distinctive features of a Hund metal, the resulting metallic state is found to display an electronic structure analogous to that of strontium ruthenate, suggesting that it could exhibit similar low-energy properties.

*This research was financially supported by the Natural Sciences and Engineering Research Council of Canada (NSERC), under the Discovery Grants program Grant No. RGPIN-201905312 (A.-M.S.T.), and No. RGPIN-2016-06666 (M.C.). Computations were made on the supercomputers Beluga and Narval managed by Calcul Québec and the Digital Research Alliance of Canada.

Presenters

  • Michel Cote

    • Universite de Montreal

Authors

  • Michel Cote

    • Universite de Montreal
  • Azin Kazemi-Moridani

    • Universite de Montreal
  • Sophie Beck

    • Simons Foundation (Flatiron Institute)
  • Alexander Hampel

    • Simons Foundation (Flatiron Institute)
  • André-Marie S Tremblay

    • Université de Sherbrooke
  • Olivier Gingras

    • Simons Foundation (Flatiron Institute)