METAL-CERAMIC ADHESION AND THE HARRIS FUNCTIONAL

被引：168

作者：

SMITH, JR

HONG, T

SROLOVITZ, DJ

机构：

[1] UNIV MICHIGAN,DEPT MAT SCI & ENGN,ANN ARBOR,MI 48109

[2] WEIZMANN INST SCI,DEPT MAT & INTERFACES,IL-76100 REHOVOT,ISRAEL

来源：

PHYSICAL REVIEW LETTERS | 1994年 / 72卷 / 25期

关键词：

D O I：

10.1103/PhysRevLett.72.4021

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The effects of a monolayer of C or S impurities on adhesion at MgO/Al and MgO/Ag interfaces were determined from first principles. Impurity effects were found to be substantial, with changes in adhesive energies ranging from 9% to 61%. All adhesion curves accurately obey the universal energy relation. The Harris functional reproduces the self-consistent results well. Given the relative simplicity of the Harris functional, these successful interfacial applications may significantly expand the size and complexity of systems which can be studied.

引用

页码：4021 / 4024

页数：4

共 23 条

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