Abstract
We present a simulation of the electron dynamics of localized edge states in amorphous silicon (a-Si) at room temperature by integrating the time dependent Schrodinger equation using a Crank-Nicholson method and a first-principles local basis Hamiltonian. We study the character of the spatial and spectral diffusion of the localized states and directly simulate and reveal the nature of thermally driven hopping. Phonon-induced resonant mixing leads to rapid electronic diffusion if states are available nearby in energy and real-space. We believe that many of the results we obtain are crucial for modeling transport phenomena involving localized states.
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