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cond-mat.mtrl-sci2025
Carrier mobilities and electron-phonon interactions beyond DFT
Aleksandr Poliukhin, Nicola Colonna, Francesco Libbi +2
Electron-phonon coupling is a key interaction that governs diverse physical processes such as carrier transport, superconductivity, and optical absorption. Calculating such interac…
cond-mat.mtrl-sci2020
Thermomechanical properties of honeycomb lattices from internal-coordinates potentials: the case of graphene and hexagonal boron nitride
Francesco Libbi, Nicola Bonini, Nicola Marzari
Lattice dynamics in low-dimensional materials and, in particular, the quadratic behaviour of the flexural acoustic modes play a fundamental role in their thermomechanical propertie…