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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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Abstract

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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