Hydrogen-anion formation near a (2×1)-reconstructed Si(100) surface: Substrate-electronic-structure and trajectory dependence

Abstract

We calculated the yield of outgoing hydrogen negative ions after the reflection of 1-keV neutral hydrogen atoms from a (2×1)-reconstructed Si(100) surface. We find that the charge-transfer dynamics at the reconstructed surface is dependent on both the surface-electronic structure and orientation of the projectile trajectory relative to the crystal azimuthal directions. Our results are in good quantitative agreement with the measured H- fractions of Maazouz and Esaulov [Surf. Sci.SUSCAS0039-602810.1016/S0039- 6028(98)80010-1 398, 49 (1998)] for scattering trajectories that are aligned perpendicularly to rows of silicon dimers. © 2011 American Physical Society.