Volume 98, Number 6, June 2012
|Number of page(s)||6|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||10 July 2012|
Characterization of zero-point vibration in one-component crystals
1 Water South Street, Cheng Xiang, Xing Bin Qu, Lai Bin, Guang Xi 546101, China
2 Institute for Materials Research, Tohoku University - Sendai 980-8577, Japan
(a) Present address: National Institute for Materials Science - Tsukuba, Japan; email@example.com
Received: 6 April 2012
Accepted: 26 May 2012
We study the magnitude of zero-point vibrations 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 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.
PACS: 63.20.-e – Phonons in crystal lattices / 64.70.qd – Thermodynamics and statistical mechanics / 63.20.dk – First-principles theory
© EPLA, 2012
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