Abstract
A theoretical consideration of the surface deformations observed by FEM, FIM, etc. when electronegative gases such as carbon monoxide are chemisorbed on metals is presented in this paper. The existence conditions for localized states are exaimed by investigating a one-dimensional model which consists of semi-infinite linear chain and one adsorption centre, via MO-TBA method. The results qualitatively show that such chemisorption-induced surface deformations might occur under some conditions as the electronegativity of the adsorbate and the strength in chemisorption bond formed become large. The effects of surface deformation on the bond order which is associated with IR spectral band position are also considered.
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