Multiferrons are defined as elementary excitations with both electric and magnetic character that tilt polarization, generate magnetization via dynamical multiferroicity, and carry quadrupole and octupole moments, as computed for LiNbO3.
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7 Pith papers cite this work. Polarity classification is still indexing.
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r²SCANY@r²SCANX uses distinct exact-exchange fractions for density (X) and energy (Y) to reduce self-interaction errors and improve band gaps, magnetic moments, and oxidation energies in 20 strongly correlated transition-metal oxides over r²SCAN and DFT+U.
DFT+U models of cubic/hexagonal NiO, monoclinic/trigonal Ni(OH)2, and NiOOH supply vibrational references that align with operando Raman spectra and TEM observations for OER-relevant phases.
Silver chromate surface stability is governed by chromium-oxygen cluster coordination, with Wulff constructions revealing morphology shifts under varying silver and oxygen chemical potentials.
Molecular dynamics with ML force fields shows inorganic layers in MBA2PbI4 lose chirality faster than organic cations with rising temperature due to hydrogen bond breaking.