Abstract

In application of Born lattice dynamics, a simple model allows the calculation of the mean-square displacement of the vibrations of bulk and (0001) surface graphite atoms. In the direction of the sixfold axis, bulk vibrations are characterized by mean-square displacement three times as large as that of atomic motions within the layer. The vibrations of the (0001) surface differ from bulk vibrations only when operating in the direction perpendicular to the surface; the ratio of surface and bulk mean-square displacements is about 1.2 at room temperature. All these theoretical results are generally in good agreement with many measurements previously published by various authors. Yet the validity of the model fails at very high temperature because of anharmonic effects. Then a comment is made on the atomic-scale mechanism of the lattice dynamics of graphite. We demonstrate in particular that very strong angular-return forces bring about the stiffness of the basal plane.

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