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cond-mat.mtrl-sci2023★ 1 cited
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…
cond-mat.mes-hall2023★ 10 cited
Theory of infrared double-resonance Raman spectrum in graphene: the role of the zone-boundary electron-phonon enhancement
Lorenzo Graziotto, Francesco Macheda, Thibault Sohier +2
We theoretically investigate the double-resonance Raman spectrum of monolayer graphene down to infrared laser excitation energies. By using first-principles density functional theo…