The effects of isolated vacancy defects on the thermodynamic properties of harmonics crystals: Cell cluster method
- 1 May 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (9) , 4982-4984
- https://doi.org/10.1063/1.439785
Abstract
A general derivation of the cell cluster theory for harmonic systems is given. The effects of a vacancy defect on the harmonic contribution to the high temperature Helmholtz free energy, the zero point energy, and the constant volume heat capacity of a face‐centered cubic crystal with first‐neighbor interactions were calculated using the cell cluster method. Similar calculations were also performed for the triangular lattice.Keywords
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