139 citations · 140 across the 3 of their papers we have counts for
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Density-functional perturbation theory for one-dimensional systems: implementation and relevance for phonons and electron-phonon interactions
Norma Rivano, Nicola Marzari, Thibault Sohier
The electronic and vibrational properties and electron-phonon couplings of one-dimensional materials will be key to many prospective applications in nanotechnology. Dimensionality…
Infrared-active phonons in one-dimensional materials and their spectroscopic signatures
Norma Rivano, Nicola Marzari, Thibault Sohier
Dimensionality provides a clear fingerprint on the dispersion of infrared-active, polar-optical phonons. For these phonons, the local dipoles parametrized by the Born effective cha…
Phonon-limited resistivity of graphene by first-principle calculations: electron-phonon interactions, strain-induced gauge field and Boltzmann equation
Thibault Sohier, Matteo Calandra, Cheol-Hwan Park +3
Electron-phonon coupling in graphene is extensively modeled and simulated from first principles. We find that using an accurate model for the polarizations of the acoustic phonon m…