$\mathbf{J}$  freezing and Hund’s rules in spin-orbit-coupled multiorbital Hubbard models

Kim, Aaram J.; Jeschke, Harald O.; Werner, Philipp; Valentí, Roser

doi:10.1103/PhysRevLett.118.086401

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$\mathbf{J}$ freezing and Hund’s rules in spin-orbit-coupled multiorbital Hubbard models

Kim, Aaram J. Institut für Theoretische Physik, Goethe-Universität Frankfurt, Frankfurt am Main, Germany
Jeschke, Harald O. Institut für Theoretische Physik, Goethe-Universität Frankfurt, Frankfurt am Main, Germany
Werner, Philipp Department of Physics, University of Fribourg, Switzerland
Valentí, Roser Institut für Theoretische Physik, Goethe-Universität Frankfurt, Frankfurt am Main, Germany

21.02.2017

Published in:

Physical Review Letters. - 2017, vol. 118, no. 8, p. 086401

English 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.

Faculty

Faculté des sciences et de médecine

Department

Département de Physique

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