Lattice vibrations and stability of reconstructed (110) noble metal surfaces

被引：12
作者：
Vilfan, I
Lançon, F
Adam, E
机构：
[1] Jozef Stefan Inst, SI-1001 Ljubljana, Slovenia
[2] CEA, Dept Rech Fondamentale Mat Condensee, F-38054 Grenoble 9, France
来源：
SURFACE SCIENCE | 1999年 / 440卷 / 1-2期
关键词：
gold; platinum; silver; surface energy; surface relaxation and reconstruction; surface thermodynamics; surface waves; phonons;
D O I：
10.1016/S0039-6028(99)00822-5
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：
The interplay between the surface phonons and different missing-row reconstructions of (110) noble-metal surfaces is investigated. The phonon dispersion curves and densities of states are calculated for a slab model with 24 layers of atoms, using the Sutton-Chen many-body potential. The phonon contribution to the surface free energy is evaluated for Au, Pt and Ag surfaces. The results show that surface phonons play an important role in stabilizing a surface reconstruction when the energy difference between different reconstructions is of the order 1 meV/(surface unit cell) or smaller, and in particular in the case of Au(110) when the (1 x 2) and (1 x 3) reconstructions are close in energy. We also observe that the Sutton-Chen potential reproduces the phonon dispersion curves better for Ag (4d metal) than for Au and Pt (5d metal). (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：279 / 289
页数：11
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