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Within a tight-binding approximation, we numerically determine the time evolution of graphene electronic states in the presence of classically vibrating nuclei. There is no reliance on the Born–Oppenheimer approximation within the p-orbital tight-binding basis, although our approximation is “atomically adiabatic”: the basis p-orbitals are taken to follow nuclear positions. Our calculations show that the strict adiabatic Born–Oppenheimer approximation fails badly. We find that a diabatic (lazy electrons responding weakly to nuclear distortions) Born–Oppenheimer model provides a much more accurate picture and suggests a generalized many-body Bloch orbital-nuclear basis set for describing electron–phonon interactions in graphene.
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This study analyzed the scar-like localization in the time-average of a time-evolving wavepacket on a desymmetrized stadium billiard. When a wavepacket is launched along the orbits, it emerges on classical unstable periodic orbits as a scar in stationary states. This localization along the periodic orbit is clarified through the semiclassical approximation. It essentially originates from the same mechanism of a scar in stationary states: piling up of the contribution from the classical actions of multiply repeated passes on a primitive periodic orbit. To achieve this, several states are required in the energy range determined by the initial wavepacket.more » « less
