2 papers
cond-mat.mtrl-sci2025
Nonequilibrium Photocarrier and Phonon Dynamics from First Principles: a Unified Treatment of Carrier-Carrier, Carrier-Phonon, and Phonon-Phonon Scattering
Stefano Mocatti, Giovanni Marini, Giulio Volpato +2
We develop a first-principles many-body framework to describe the dynamics of photocarriers and phonons in semiconductors following ultrafast excitation. Our approach incorporates…
cond-mat.mtrl-sci2024
Wannier interpolation of reciprocal-space periodic and non-periodic matrix elements in the optimally smooth subspace
Giulio Volpato, Stefano Mocatti, Giovanni Marini +1
Maximally localized Wannier functions use the gauge freedom of Bloch wavefunctions to define the optimally smooth subspace with matrix elements that depend smoothly on crystal mome…