Dynamics of the spin transition in the adsorption of hydrogen atoms on metals
Journal article, 2004

The time-dependent, mean-field Newns-Anderson model is solved in the wide-band limit. Equations for the time-evolution of the occupation of the spin-dependent adsorbate levels and for the rate of non-adiabatic energy transfer from adsorbate to substrate are derived. Numerical solutions are obtained in the region of space close to the transition point between spin-polarised and non-polarised ground states, for model parameters that correspond to an H-atom incident on the Cu(111) surface. Away from the spin transition the non-adiabatic energy transfer is in close agreement with the nearly-adiabatic limit. Near the transition, non-adiabatic effects are large and the nearly-adiabatic approximation fails.


D. M. Bird

University of Bath

Mats Persson

Chalmers, Applied Physics, Materials and Surface Theory

J. R. Trail

University of Cambridge

S. Holloway

University of Liverpool

Surface Science

Vol. 566-568 1-3 part 2 761-766

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Physical Sciences



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