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cond-mat.mtrl-sci2026
First-Principles Spin-Lattice Coupling from Downfolded Electron-Phonon Interaction
Xu He, Álvaro Adrián Carrasco Álvarez, Gian-Marco Rignanese +3
We present a method to calculate spin-phonon coupling parameters from first-principles perturbation theory by downfolding the electron-phonon coupling (EPC). We exploit the localiz…
cond-mat.mtrl-sci2026
Spin-orbit coupling renormalization of the natural optical activity of Pb5Ge3O11 from first-principles
Asier Zabalo, Massimiliano Stengel, Eric Bousquet
We present a first-principles study of the natural optical activity of the gyroelectric PbGeO crystal, explicitly accounting for spin-orbit coupling (SOC) effects. W…