Superconductivity in high-pressure MnB4 is induced by altermagnetic spin fluctuations, yielding extended-s pairing symmetry.
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Ultrafast nonlinear Hall effect is observed in centrosymmetric black phosphorus via femtosecond laser pulses polarized along the armchair direction, persisting beyond 300 fs.
IRSSG is a new open-source DFT-interfacing package that computes spin space group operations, compact international symbols, character tables, and irreducible corepresentation labels for magnetic bands.
Degenerate perturbation theory on a multiorbital Hubbard model shows isotropic superexchange arises mainly from ground-state Kramers doublet hopping while anisotropy comes from excited multiplets, yielding an orbital design rule for quasi-isotropic exchange in rare-earth insulators.
A runtime-trained, uncertainty-driven ML model accelerates kinetic Monte Carlo simulations of atomistic thin-film growth while retaining fidelity to interatomic potentials.
Electron dynamics in the aromatic pi cloud quench and amplify specific vibrational signals from a single water molecule bound to pyrene anion.
Effective tuning of range-separated hybrid functionals supplies accurate starting orbitals for one-shot G0W0 and BSE calculations that match reference ionization potentials and neutral excitation energies across molecules and clusters.
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IRSSG: An Open-Source Software Package for Spin Space Groups
IRSSG is a new open-source DFT-interfacing package that computes spin space group operations, compact international symbols, character tables, and irreducible corepresentation labels for magnetic bands.