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The stochastic wave function method for diffusion of alkali atoms on metallic surface

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The stochastic wave function method is proposed to study the diffusion regimes of alkali atoms on metallic surfaces. The Lindblad approach, based on the microscopic Hamiltonian information in the Caldeira-Leggett model, is presented, and numerical calculations of the dynamics are carried out to characterize surface diffusion for two different systems: Na-Cu(111) and Li-Cu(111). The intermediate scattering functions obtained from numerical simulations for an isolated adsorbate are compared, in the Brownian limit, with results deduced from helium spin-echo (HeSE) experiments after reducing them to a single adsorbate dynamics. To illustrate the method, we present the dependence on momentum transfer and the temperature dependency. Results show that the 1-D quantum model (reduced dimensionality) can describe the experiment at a quantitative level.

This talk is part of the Physics and Chemistry of Solids Group series.

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