Quantum and classical ripples in graphene

2018 
Thermal ripples of graphene are well understood at room temperature, but their quantum counterpart at low temperatures are still in need of a realistic quantitative description. Here we present atomistic Path Integral Monte Carlo simulations of freestanding graphene, which show upon cooling a striking classical-quantum evolution of height and angular fluctuations. The crossover takes place at ever-decreasing temperatures for ever-increasing wavelengths so that a completely quantum regime is never attained. Low-temperature quantum graphene is flatter and smoother than classical at large scales, yet rougher at short scales. The angular fluctuation distribution of the normals can be quantitatively described by coexistence of two Gaussians, one classical, strongly T-dependent, and one quantum, about 2 degrees wide, of zero-point character. The quantum evolution of ripple-induced height and angular spread should be observable in electron diffraction in graphene and other 2D materials like $MoS_2$, bilayer graphene, BN, etc.
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