Theory of the thermal expansion of Si and diamond
- 15 February 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 43 (6) , 5024-5027
- https://doi.org/10.1103/physrevb.43.5024
Abstract
Phonon-dispersion curves, lattice mode Grüneisen parameters, and the coefficients of thermal expansion are calculated for Si and C within a tight-binding model. The results are in good agreement with experimental data. The origin of the negative thermal expansion in Si is examined, and we find that the different thermal-expansion behaviors between Si and C can be explained by the different relative strengths of bond-bending and bond-stretching forces.Keywords
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