Cohesive energies of crystals

B. Farid; R.W. Godby

doi:10.1103/PhysRevB.43.14248

Cohesive energies of crystals

B. Farid, R.W. Godby

Physics

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	14248-14250
Number of pages	2
Journal	Physical Review B
Volume	43
Issue number	17
DOIs	https://doi.org/10.1103/PhysRevB.43.14248
Publication status	Published - 15 Jun 1991

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10.1103/PhysRevB.43.14248

Cite this

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title = "Cohesive energies of crystals",

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.",

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