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262 papers · 1 filter
Co-operating multiorbital and nonlocal correlations in bilayer nickelate
Evgeny A. Stepanov, Steffen Bötzel, Ilya M. Eremin +1
The interplay of multiorbital physics and nonlocal self-energy effects is studied within an effective three-orbital model for the high-pressure normal state of superconducting bila…
Polaron-driven switching of octupolar order in doped 5d double perovskite
Dario Fiore Mosca, Lorenzo Celiberti, Leonid V. Pourovskii +1
We investigate how doping-induced small polarons impact the low-temperature multipolar orders of the double perovskite BaCaOsO. By computing intersite exchange inter…
Impact of strong electronic correlations on altermagnets: the case of NiS2
Ina Park, Turan Birol, Antoine Georges +1
One of the distinguishing features of an altermagnet is that its spin-up and spin-down bands display a nodal momentum-dependent splitting even in the absence of spin-orbit coupling…
Non-Fermi-liquid behaviour and Fermi-surface expansion induced by van Hove-driven ferromagnetic fluctuations: the D-TRILEX analysis
Ilia S. Dedov, Andrey A. Katanin, Evgeny A. Stepanov
We consider the electronic and magnetic properties of the Hubbard model on a square lattice with the Fermi level near van Hove singularity and the ratio of the next-nearest-neighbo…
5d-mediated indirect exchange and effective spin Hamiltonians in Ce triangular-lattice delafossites
Leonid V. Pourovskii
Anisotropic intersite exchange interactions in frustrated rare-earth magnets are difficult to assess both theoretically and experimentally. Here, we propose an ab initio force-theo…
Comparing Symmetrized Determinant Neural Quantum States for the Hubbard Model
Louis Sharma, Ahmedeo Shokry, Rajah Nutakki +3
Accurate simulations of the Hubbard model are crucial to understanding strongly correlated phenomena, where small energy differences between competing orders demand high numerical…