STRUCTURE AND DYNAMICS AT METAL-SURFACES

被引：69

作者：

BOHNEN, KP

HO, KM

机构：

[1] IOWA STATE UNIV SCI & TECHNOL, US DOE, AMES LAB, AMES, IA 50011 USA

[2] IOWA STATE UNIV SCI & TECHNOL, DEPT PHYS, AMES, IA 50011 USA

来源：

SURFACE SCIENCE REPORTS | 1993年 / 19卷 / 3-6期

关键词：

D O I：

10.1016/0167-5729(93)90007-C

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using first-principles total-energy calculations, lattice relaxation, reconstruction and surface phonons have been determined for various metal surfaces. Use of the Hellmann-Feynman theorem allows for a very efficient determination of equilibrium geometries and interplanar force constants. Results for simple metals as well as for noble metals will be presented and compared with available experimental information from LEED, ion channeling, helium scattering and EELS as well as with other theoretical treatments.

引用

页码：99 / 120

页数：22

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