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Author

M. Verstraete

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2 papers indexed here

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Preprint Aug 2026

First-Principles Spin-Lattice Coupling from Downfolded Electron-Phonon Interaction

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 localized nature of magnetic moments and atomic displacements by working in the Wannier representation of the electronic Hamiltonian and the EPC ma...

Xu He, Á. Álvarez, G. Rignanese et al. · 0 citations
Preprint Aug 2026

Beyond Allen-Heine-Cardona: non-perturbative electron-phonon interactions in the linewidths and lineshifts of diamond

The temperature-dependent band gap of solids is usually computed from the perturbative Allen-Heine-Cardona (AHC) electron-phonon self-energy evaluated on-shell. Extending AHC to arbitrary frequency $\omega$ to determine the full spectral function via the Dyson equation is known to fail, misplacing satellites and yieldi...

J. Nery, S. Longo, M. Verstraete · 0 citations

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