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Cohesive energies of crystals

Farid, B. and Godby, R.W. (1991) Cohesive energies of crystals. Physical Review B, 43 (17). pp. 14248-14250. ISSN 1098-0121

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We comment on the controversies that seem to exist about the experimental value of the cohesive energy for silicon. We argue that this can be safely taken to be 4.62±0.08 eV/atom. We conclude that, whereas in the case of diamond the cohesive energy predicted by recent variational quantum Monte Carlo pseudopotential calculation is in excellent agreement with experiment, for silicon there remains a discrepancy of 0.19 eV/atom. To clarify these points, we mention briefly some fundamental principles of the measurement of cohesive energies and explain how they can be obtained from the thermodynamic tables.

Item Type: Article
Copyright, Publisher and Additional Information: © 1991 American Physical Society.
Institution: The University of York
Academic Units: The University of York > Physics (York)
Depositing User: Physics Import
Date Deposited: 18 Sep 2008 16:08
Last Modified: 18 Sep 2008 16:08
Published Version: http://link.aps.org/abstract/PRB/v43/p14248
Status: Published
Publisher: American Physical Society
Refereed: Yes
Identification Number: 10.1103/PhysRevB.43.14248
Related URLs:
URI: http://eprints.whiterose.ac.uk/id/eprint/3973

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