The role of surface relaxations in determining the STM images of sulfur adatoms and clusters on Re(0001): theory versus experiment

被引:8
作者
Cerda, J
Van Hove, MA [1 ]
Sautet, P
Salmeron, M
机构
[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA
[2] CSIC, Inst Ciencia Mat, E-28049 Madrid, Spain
[3] Inst Rech Catalyse, CNRS, F-69626 Villeurbanne, France
[4] Ecole Normale Super Lyon, Chim Theor Lab, F-69364 Lyon 07, France
关键词
rhenium; semi-empirical models and model calculations; sulfur; surface relaxation and reconstruction; tunneling;
D O I
10.1016/S0039-6028(98)00164-2
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
We apply our recent Green's function based STM formalism to study the adsorption of S monomers and clusters on Re(0001). Starting from previous STM experimental data and LEED results, we consider surface relaxations common to the different S structures observed on this system. The role of such relaxations on the final shape of the theoretical STM images is then examined, and we find that the sensitivity of the images to these structural parameters can be considerable in certain cases. The consistency of proposed relaxed models is also confirmed after a theory-experiment comparison of the STM images. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:145 / 159
页数:15
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