Indirect 5d-mediated exchange dominates in CsCeSe2, superexchange dominates in RbCeO2, and both contribute equally in KCeS2, with calculated spin Hamiltonians yielding magnetic excitation spectra in good agreement with experiment.
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Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).
CDW amplitude modulates effective Hubbard U in 1T-TaS2, shifting bands and enabling a Mott-to-correlated-metal transition upon reduced distortion.
citing papers explorer
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5d-mediated indirect exchange and effective spin Hamiltonians in Ce triangular-lattice delafossites
Indirect 5d-mediated exchange dominates in CsCeSe2, superexchange dominates in RbCeO2, and both contribute equally in KCeS2, with calculated spin Hamiltonians yielding magnetic excitation spectra in good agreement with experiment.
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Systematic dynamical mean-field theory study of 3d perovskite oxides with uniform Coulomb interactions
Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).
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Dynamical control of Coulomb interactions and Hubbard bands in monolayer 1T-TaS$_2$
CDW amplitude modulates effective Hubbard U in 1T-TaS2, shifting bands and enabling a Mott-to-correlated-metal transition upon reduced distortion.