J Freezing and Hund’s Rules in Spin-Orbit-Coupled Multiorbital Hubbard Models

Aaram J. Kim, Harald O. Jeschke, Philipp Werner, and Roser Valentí
Phys. Rev. Lett. 118, 086401 – Published 21 February 2017
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Abstract

We investigate the phase diagram of the spin-orbit-coupled three orbital Hubbard model at arbitrary filling by means of dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. We find that the spin-freezing crossover occurring in the metallic phase of the nonrelativistic multiorbital Hubbard model can be generalized to a J-freezing crossover, with J=L+S, in the spin-orbit-coupled case. In the J-frozen regime the correlated electrons exhibit a nontrivial flavor selectivity and energy dependence. Furthermore, in the regions near n=2 and n=4 the metallic states are qualitatively different from each other, which reflects the atomic Hund’s third rule. Finally, we explore the appearance of magnetic order from exciton condensation at n=4 and discuss the relevance of our results for real materials.

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  • Received 18 July 2016

DOI:https://doi.org/10.1103/PhysRevLett.118.086401

© 2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Aaram J. Kim1,*, Harald O. Jeschke1, Philipp Werner2, and Roser Valentí1

  • 1Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Straße 1, 60438 Frankfurt am Main, Germany
  • 2Department of Physics, University of Fribourg, Chemin du Musée 3, 1700 Fribourg, Switzerland

  • *aaram@itp.uni-frankfurt.de

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Issue

Vol. 118, Iss. 8 — 24 February 2017

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