Two methods for calculating the effect of vacancy defects on the free energy of harmonic solids
- 15 September 1976
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 65 (6) , 2353-2356
- https://doi.org/10.1063/1.433348
Abstract
Two methods are developed for calculating the change in vibrational free energy ΔF of a solid with first-neighbor interactions which results from the introduction of a vacancy defect. One method employs a summation of central moments calculated from closed walks. From this well-defined method a more intuitive cell cluster technique is derived. As an example, both methods are used to calculate ΔF for the triangular lattice. Each method yields the result ΔF/kT=−1.9.Keywords
This publication has 9 references indexed in Scilit:
- A derivation of the cell cluster theory for harmonic solidsThe Journal of Chemical Physics, 1976
- Two Methods for the Evaluation of Exact Moments of Crystal Frequency Distribution FunctionsThe Journal of Chemical Physics, 1972
- The calculation of polyvacancy concentrations in rigid disk and hard sphere solids using cell cluster techniquesJournal of Physics and Chemistry of Solids, 1972
- High-Temperature Harmonic Free Energy of the fcc and hcp Lattices: Cell Cluster MethodThe Journal of Chemical Physics, 1970
- A modified cell-cluster theory for the solid state with application to the harmonic modelPhysica, 1966
- The vibrations of three two-dimensional latticesMathematical Proceedings of the Cambridge Philosophical Society, 1963
- Vibraptional Thermodynamic Properties of Lattices with Defects. IIProgress of Theoretical Physics, 1960
- Effects of Defects on Lattice VibrationsProgress of Theoretical Physics, 1958
- On the thermodynamics of crystalline latticesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1955