Tensor LEED analysis for the Cu(111)-(√ x √7)R19.1°-S surface structure

被引:22
作者
Saidy, M [1 ]
Mitchell, KAR [1 ]
机构
[1] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada
基金
加拿大自然科学与工程研究理事会;
关键词
copper; low energy electron diffraction; low index single crystal surface; sulphur; surface reconstruction;
D O I
10.1016/S0039-6028(99)00877-8
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
A tensor LEED analysis is reported for the (root 7 x root 7)R19.1 degrees structure formed by S at the Cu(lll)surface. A new structural model is found which corresponds to a modified version of the copper sulphide overlayer model first proposed by Domange and Oudar. In that model, the topmost layer has 3/7 monolayer each of Cu and S atoms, but the modification involves one S atom per unit mesh moving down to displace a Cu atom from the second metal layer. Relaxations among the topmost Cu atoms result in one S atom being effectively three-fold coordinate while the other two are sixfold coordinate and 12-fold coordinate: the averaged S-Cu bond lengths are indicated to equal 2.19, 2.47 and 2.62 Angstrom respectively. Some discussion is included of factors that may influence this choice of surface structure. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:425 / 435
页数:11
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