Abstract
We describe an approach that links the density-matrix theory for electron transport and relaxation with the density-functional theory for electronic structure. Our analysis of the electron dynamics at Si(100) reveals an unanticipated phonon bottleneck between bulklike and surface states. The fastest relaxation process observed in recent two-photon photoemission experiments is in good agreement with the calculated phonon-mediated intrasurface-band scattering.
Highlights
Nanometer-scale semiconductor devices are increasingly affected by the electronic and phononic properties of surfaces and interfaces
An intriguing challenge is to understand the electron transfer dynamics between surface and bulklike states.5–7. In this Brief Report, we present a theory for the optical excitation and subsequent phonon-assisted relaxation8 of a nonequilibrium electron distribution
The strength of DMT-based approaches lies in their direct treatment of the time domain, which provides a transparent description of both the electron dephasing and the relaxation processes over a wide range of time scales, while requiring just a few empirical materials parameters. Such methods have been used with great success for describing carrier relaxation after optical excitation in bulk or embedded nanostructured semiconductors
Summary
Nanometer-scale semiconductor devices are increasingly affected by the electronic and phononic properties of surfaces and interfaces. Linking density functional and density-matrix theory: Picosecond electron relaxation at the Si(100) surface Our analysis of the electron dynamics at Si100͒ reveals an unanticipated phonon bottleneck between bulklike and surface states.
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