Probing localization and mobility of an excess electron ina-Si by quantum molecular dynamics

Abstract
The behavior of an excess electron in a-Si is studied over a wide temperature range using the quantum-molecular-dynamics approach. The electron is found to be localized in a nearly spherical void of radius ∼3 Å, and is surrounded by a ring of eight Si atoms. The simulation results for the electron mobility are in good agreement with the time-of-flight measurements.