U. Wieser, U. Kunze, et al.
Physica E: Low-Dimensional Systems and Nanostructures
We have determined that K chemisorbed on a Cu(100) surface is highly ionic K+ for a low coverage of K. Our results are based on Hartree-Fock SCF cluster calculations. Various properties have been analyzed to establish the ionic character of the CuK bond. These include: (1) the dipole moment curve as a function of the CuK distance; (2) constrained variations of the SCF orbitals to separate polarization effects from charge transfer: and (3) charge density difference plots. A cost/benefit analysis is applied to show that the ionic bond is energetically favorable. © 1992.
U. Wieser, U. Kunze, et al.
Physica E: Low-Dimensional Systems and Nanostructures
Shu-Jen Han, Dharmendar Reddy, et al.
ACS Nano
Michael Ray, Yves C. Martin
Proceedings of SPIE - The International Society for Optical Engineering
L.K. Wang, A. Acovic, et al.
MRS Spring Meeting 1993