Anti-bonding driving caused by electron emission: halogen desorption from Si surfaces

A new model of the halogen desorption from Si surfaces by electronic excitation is proposed. The Br desorption induced by the electron emission from the Br 4s orbital was found to be due to increase of the anti-bonding components of the Si–Br bonds. This model is an alternative to the traditional model based on the Auger process [Jpn. J. Appl. Phys. 33, 2248 (1994).]. A long lifetime of the Br 4s hole was confirmed by applying a recently developed scheme of the real-time electron ion dynamics for solving the time-dependent Schrödinger equation of the electron wave functions.