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arXiv · 1111.4064

Characterization of Zero-point Vibration in One-Component Crystals

Yong Yang·Yoshiyuki Kawazoe
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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.

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BibTeXRIS

Yong Yang, Yoshiyuki Kawazoe. 2012-03-27. Characterization of Zero-point Vibration in One-Component Crystals. https://doi.org/10.1209/0295-5075%2F98%2F66007

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