29.3k citations · 47.2k across the 133 of their papers we have counts for
4 papers · 2 filters
First-principles calculations of phonon frequencies, lifetimes and spectral functions from weak to strong anharmonicity: the example of palladium hydrides
Lorenzo Paulatto, Ion Errea, Matteo Calandra +1
The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation the…
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…
Electron localization and possible phase separation in the absence of a charge density wave in single-phase 1T-VS
A. Gauzzi, A. Sellam, G. Rousse +12
We report on a systematic study of the structural, magnetic and transport properties of high-purity 1T-VS powder samples prepared under high pressure. The results differ notabl…
Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene
Cheol-Hwan Park, Nicola Bonini, Thibault Sohier +5
We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional…