Paul S. Bagus, Gianfranco Pacchioni
Physical Review B
The p(2×2) and c(2×2) coverages of S on Ni(100) are studied with a cluster model. Consistent with a recent lattice-dynamics study, the chemical contribution (rigid Ni lattice) to the coverage-dependent shift of the S vibrational energy is of opposite sign to that for O. Analysis of the cluster wave functions suggests that S becomes less negatively charged with coverage, while O becomes more ionic; however, this effect is small. © 1985 The American Physical Society.
Paul S. Bagus, Gianfranco Pacchioni
Physical Review B
Fluvio Parmigiani, Eric Kay, et al.
Journal of Electron Spectroscopy and Related Phenomena
Lars G. M. Pettersson, Paul S. Bagus
Physical Review Letters
Francesc Illas, Paul S. Bagus, et al.
The Journal of Chemical Physics