COHESIVE ENERGIES OF CRYSTALS

被引:64
作者
FARID, B
GODBY, RW
机构
[1] Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, Madingley Road
来源
PHYSICAL REVIEW B | 1991年 / 43卷 / 17期
关键词
D O I
10.1103/PhysRevB.43.14248
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
引用
收藏
页码:14248 / 14250
页数:3
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