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

页码：14248 / 14250

页数：3