Formation of highly ordered Ca-overlayers on TiO2(110) surfaces studied by scanning tunneling microscopy and atomistic simulation

被引:10
作者
Nörenberg, H
Harding, JH
机构
[1] Univ Oxford, Dept Mat, Oxford OX1 3PH, England
[2] Univ London Univ Coll, Dept Phys & Astron, London WC1E 6BT, England
基金
英国工程与自然科学研究理事会;
关键词
Ca-overlayers; TiO2(110) surfaces; scanning tunneling microscopy; atomistic simulation;
D O I
10.1016/S0169-4332(98)00670-9
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
An ordered surface layer of Ca on TiO2(110) has been prepared and studied after annealing of a TiO2-rutile crystal, During the annealing process Ca impurities from the bulk segregate to the surface. A well ordered p(3 x 1) reconstruction has been observed by scanning tunneling microscopy (STM). Calculations have shown that the p(3 x 1) reconstruction has the lowest energy. Every third Ca ion in the [001] direction is elevated by around 1 Angstrom. Therefore, the STM contrast is mainly due to calcium and caused by geometry rather than electronic effects. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:174 / 176
页数:3
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