The composite Anderson-Newns model and triangular weighted density of states are used to study the electron density of states, magnetic moment and charge transfer of adatoms for a chemisorbed system. The model has been applied to hydrogen chemisorbed on nickel. It has been observed that with the increase in coverage, number of B-AB states as well as bond strength increases, whereas the magnetic moment and adatom charge decrease with coverage. These results match with the experimental data.
Volume 96, 2022
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