About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
Physical Review Letters
Paper
Origin of the coverage-dependent vibrational shift for O on Ni(100)
Abstract
The p (2×2) and c (2×2) coverages of O on Ni(100) are studied with a cluster model. The p (2×2) coverage is modeled by the addition of a single O at a fourfold site. The c (2×2) is modeled by the explicit inclusion of four additional O atoms. Consistent with electron energy-loss spectroscopy results, the O-Ni vibration is 85 cm-1 lower for the c (2×2) cluster than for the p (2×2). The height of O above the surface is 0.11 smaller for the c (2×2) coverage. The nature of the O-to-Ni bonding is similar for both coverages. © 1984 The American Physical Society.