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Recent experiments observe electric current generation at a slidingmetal-semiconductor interfaces. Here, we present a detailed theoretical studyon how electric voltage is generated at such a sliding interface. Our study isbased on a two-band Anderson-Holstein model, and we solve the coupledelectron-phonon dynamics using a surface hopping method. We show that the highlocal temperature induced by mechanic motion at the interfaces could lead toelectron-hole pair generation through electron-phonon couplings. We quantifythe efficiency of electron-hole generation as well as electric voltage as afunction of local temperatures and semiconductor bandgaps. We find thatincreasing the local temperatures can lead to higher electron-hole generationsand electric voltage. Furthermore, we find that there is a turnover for theelectric voltage as a function of the bandgap. Such an observation is inagreement with the experimental results. Our study offers a theoreticalframework to understand tribovoltaic effects from a quantum mechanical point ofview, and our approach can be used to quantitively simulate realistic slidingmetal-semiconductor junctions.

Nonadiabatic quantum dynamics of tribovoltaic effects at sliding metal-semiconductor interfaces