J.H. Stathis, R. Bolam, et al.
INFOS 2005
The site and nature of the bonding of H at a Ti (0001) surface are established via the analysis of new angle-resolved photoemission measurements by self-consistent electronic-structure calculations. Experimentally observed H-induced surface states are identified with calculated bonding and antibonding combinations of H 1s and Ti 3d, 4s orbitals. The positions of these levels are strongly dependent on local bonding geometry. The H site which minimizes the total energy gives a very good account of the observed spectrum. Ignoring the total energy leads to a more ambiguous structure determination. © 1980 The American Physical Society.
J.H. Stathis, R. Bolam, et al.
INFOS 2005
Thomas H. Baum, Carl E. Larson, et al.
Journal of Organometallic Chemistry
Elizabeth A. Sholler, Frederick M. Meyer, et al.
SPIE AeroSense 1997
Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings