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cond-mat.mtrl-sci2026
Beyond Allen-Heine-Cardona: non-perturbative electron-phonon interactions in the linewidths and lineshifts of diamond
Jean Paul Nery, Samuel Longo, Matthieu J. Verstraete
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 ar…
cond-mat.mtrl-sci2026
Temperature-dependent Raman spectra of 2H-MoS2 from Machine Learning-driven statistical sampling
Samuel Longo, Aloïs Castellano, Matthieu J. Verstraete
Molybdenum sulfides are in the spotlight of materials science thanks to their interesting properties for applications in optoelectronics, nanocomposites, lubricants, and catalysis.…