Characterization of Zero-point Vibration in One-Component Crystals

Abstract

We study the magnitude of zero-point vibration in one-component crystals. For the crystals whose constituent atoms share the same bonding geometry, we prove the existence of a characteristic temperature, T0, at which the magnitude of zero-point vibrations equals to that of the excited vibrations. Within the Debye model T0 is found to be ~1/3 of the Debye temperature. The results are demonstrated in realistic systems.

18 pages, 1 figures

References in corpus (1)

• {\it Ab--initio} finite temperature excitons

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