Sr2MoO4 and Sr2RuO4: Disentangling the Roles of Hund’s and van Hove Physics

Jonathan Karp, Max Bramberger, Martin Grundner, Ulrich Schollwöck, Andrew J. Millis, and Manuel Zingl
Phys. Rev. Lett. 125, 166401 – Published 12 October 2020
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Abstract

Sr2MoO4 is isostructural to the unconventional superconductor Sr2RuO4 but with two electrons instead of two holes in the Mo/Rut2g orbitals. Both materials are Hund’s metals, but while Sr2RuO4 has a van Hove singularity in close proximity to the Fermi surface, the van Hove singularity of Sr2MoO4 is far from the Fermi surface. By using density functional plus dynamical mean-field theory, we determine the relative influence of van Hove and Hund’s metal physics on the correlation properties. We show that theoretically predicted signatures of Hund’s metal physics occur on the occupied side of the electronic spectrum of Sr2MoO4, identifying Sr2MoO4 as an ideal candidate system for a direct experimental confirmation of the theoretical concept of Hund’s metals via photoemission spectroscopy.

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  • Received 9 May 2020
  • Accepted 22 September 2020

DOI:https://doi.org/10.1103/PhysRevLett.125.166401

© 2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Jonathan Karp1,*, Max Bramberger2,3, Martin Grundner2,3, Ulrich Schollwöck2,3, Andrew J. Millis4,5, and Manuel Zingl5

  • 1Department of Applied Physics and Applied Math, Columbia University, New York, New York 10027, USA
  • 2Arnold Sommerfeld Center of Theoretical Physics, Department of Physics, University of Munich, Theresienstrasse 37, 80333 Munich, Germany
  • 3Munich Center for Quantum Science and Technology (MCQST), Schellingstrasse 4, 80799 Munich, Germany
  • 4Department of Physics, Columbia University, New York, New York 10027, USA
  • 5Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

  • *jk3986@columbia.edu

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Issue

Vol. 125, Iss. 16 — 16 October 2020

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