Electron correlation effects in the chemisorption of transition-metal atoms on tungsten
- 6 February 1975
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 8 (4), 425-444
- https://doi.org/10.1088/0022-3719/8/4/011
Abstract
The chemisorption energy and charge transfer of a transition-metal adatom of the 5d series on a tungsten substrate are calculated using a degenerate three-atom Hubbard Hamiltonian which is solved by making an ansatz for the wavefunction. The observed experimental trend in the chemisorption energy is reproduced for large values of the intra-atomic Coulomb interaction U, thus emphasizing the importance of correlation in this problem.Keywords
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