Photo-excitation of AFI LCMO produces a long-lived hidden phase with softened polaron excitations, partial Jahn-Teller suppression, and unchanged phonons, absent from the equilibrium phase diagram.
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The study identifies a previously unreported 1×2 surface reconstruction on β-Ga₂O₃(001) formed by paired GaO₄ tetrahedra that remains stable across wide oxygen and gallium chemical potential ranges and matches experimental STEM images.
Hole polarons trap stably on oxygen 2p orbitals with -0.65 eV energy and 0.32 eV migration barrier while excess electrons do not self-trap on niobium in rhombohedral NaNbO3.
DFT calculations identify spin-1, double Weyl, Rarita-Schwinger-Weyl, and double spin-1 excitations plus eight new type-II Weyl points without SOC and twelve more with SOC in PdAsS, PdSbSe, and PdBiTe, with orbital hybridization shaping their low-energy bands.
Chemical disorder plus compositional gradients in FePd films produce finite Dzyaloshinskii-Moriya interactions that stabilize chiral magnetic modulations with mixed Bloch-Néel character.
Oxygen-centered hole polaron formation is energetically preferred over formal Fe4+ in Fe acceptor doped BaTiO3 under oxidizing conditions, limiting Fermi level shifts.
citing papers explorer
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Excitations across the equilibrium and photoinduced `hidden' states of magnetoresistive manganites
Photo-excitation of AFI LCMO produces a long-lived hidden phase with softened polaron excitations, partial Jahn-Teller suppression, and unchanged phonons, absent from the equilibrium phase diagram.
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$\beta$-Ga$_2$O$_3$(001) surface reconstructions from first principles and experiment
The study identifies a previously unreported 1×2 surface reconstruction on β-Ga₂O₃(001) formed by paired GaO₄ tetrahedra that remains stable across wide oxygen and gallium chemical potential ranges and matches experimental STEM images.
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First-principles investigation of small polarons in rhombohedral NaNbO$_{3}$
Hole polarons trap stably on oxygen 2p orbitals with -0.65 eV energy and 0.32 eV migration barrier while excess electrons do not self-trap on niobium in rhombohedral NaNbO3.
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Unconventional excitations and orbital-driven low-energy dispersions in chiral topological semimetals PdAsS, PdSbSe, and PdBiTe: a first-principles study
DFT calculations identify spin-1, double Weyl, Rarita-Schwinger-Weyl, and double spin-1 excitations plus eight new type-II Weyl points without SOC and twelve more with SOC in PdAsS, PdSbSe, and PdBiTe, with orbital hybridization shaping their low-energy bands.
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Disorder-induced chirality in superconductor-ferromagnet heterostructures revealed by neutron scattering and multiscale modeling
Chemical disorder plus compositional gradients in FePd films produce finite Dzyaloshinskii-Moriya interactions that stabilize chiral magnetic modulations with mixed Bloch-Néel character.
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Why hole polaron formation on oxygen is limiting the Fermi level in Fe acceptor doped BaTiO$_{3}$ under oxidizing conditions
Oxygen-centered hole polaron formation is energetically preferred over formal Fe4+ in Fe acceptor doped BaTiO3 under oxidizing conditions, limiting Fermi level shifts.