From the 1 of 156 linked papers with an AI index.
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Born-Oppenheimer Breakdown in Graphene
Simone Pisana, Michele Lazzeri, Cinzia Casiraghi +4
The Born-Oppenheimer approximation (BO) has proven effective for the accurate determination of chemical reactions, molecular dynamics and phonon frequencies in a wide range of meta…
Non-adiabatic Kohn-anomaly in a doped graphene monolayer
Michele Lazzeri, Francesco Mauri
We compute, from first-principles, the frequency of the E2g, Gamma phonon (Raman G-band) of graphene, as a function of the charge doping. Calculations are done using i) the adiabat…
Optical Phonons in Carbon Nanotubes: Kohn Anomalies, Peierls Distortions and Dynamic Effects
Stefano Piscanec, Michele Lazzeri, John Robertson +2
We present a detailed study of the vibrational properties of Single Wall Carbon Nanotubes (SWNTs). The phonon dispersions of SWNTs are strongly shaped by the effects of electron-ph…
Possibility of superconductivity in graphite intercalated with alkaline earths investigated with density functional theory
Matteo Calandra, Francesco Mauri
Using density functional theory we investigate the occurrence of superconductivity in AC with A=Mg,Ca,Sr,Ba. We predict that at zero pressure, Ba and Sr should be superconducti…
The Raman Fingerprint of Graphene
A. C. Ferrari, J. C. Meyer, V. Scardaci +8
Graphene is the two-dimensional (2d) building block for carbon allotropes of every other dimensionality. It can be stacked into 3d graphite, rolled into 1d nanotubes, or wrapped in…
Coupled dynamics of electrons and phonons in metallic nanotubes: current saturation from hot phonons generation
Michele Lazzeri, Francesco Mauri
We show that the self-consistent dynamics of both phonons and electrons is the necessary ingredient for the reliable description of the hot phonons generation during electron trans…