1111.4064 (Yong Yang et al.)

Characterization of Zero-point Vibration in One-Component Crystals    [PDF]

Yong Yang, Yoshiyuki Kawazoe

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.

View original: http://arxiv.org/abs/1111.4064