A Quantum-Mechanical Calculation of the Surface Energy of Crystalline Lithium Fluoride
- 1 March 1954
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 22 (3), 475-480
- https://doi.org/10.1063/1.1740093
Abstract
A quantum‐mechanical model for calculating the surface energy of a LiF crystal is described. This work is an extension of previous papers on the energies of the LiF crystal and molecule. A simple form of distortion is permitted in the surface region. The value of the surface energy of a {100} face obtained from these computations is 557‐erg cm—2 at 0°K and is appreciably higher than results based on classical considerations.Keywords
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