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.
Paper
Spectroscopy of a surface of known geometry: Ti(0001)-N(1×1)
Abstract
In order to test the low-energy electron diffraction (LEED) "underlayer" geometry of the Ti(0001)-N(1×1) system we have carried out self-consistent electronic-structure calculations and a variety of ultraviolet-photoemission-spectroscopy measurements. The assumption of the Shih et al. underlayer geometry yields the correct N-2p level ordering at and the correct directions of dispersion along -M. The positions of these levels are calculated to within 0.7 eV. The Fermi-level surface state predicted earlier for clean Ti(0001) is observed experimentally and, as predicted by the present calculations, is not quenched as the N adlayer forms. This result indicates that the outer Ti layer screens the potential due to N quite effectively. A layer of H on the Ti(0001) surface is found to quench the Fermi-level surface state, as predicted in the overlayer calculations of Feibelman and Hamann. © 1980 The American Physical Society.