Characterization of Zero-point Vibration in One-Component Crystals

TL;DR

This paper investigates the zero-point vibrations in one-component crystals, establishing a characteristic temperature where zero-point and excited vibrations are equal, with findings supported by the Debye model and real systems.

Contribution

It proves the existence of a characteristic temperature T0 where zero-point and excited vibrations are equal in certain crystals, using the Debye model and real system demonstrations.

Findings

T0 is approximately one-third of the Debye temperature.

Zero-point vibrations equal excited vibrations at T0 in crystals with shared bonding geometry.

Results validated through realistic system examples.

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.