Atomic Structure and Bonding of Boron-Induced Reconstructions on Si(001)

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Abstract
Scanning tunneling microscopy (STM) and tunneling spectroscopy have been used to investigate the local structural and electronic properties of boron-induced reconstructions on Si(001). Thermal decomposition of diborane produces three ordered reconstructions, which arise from ordered arrangements of three structural subunits, with a local boron coverage of ½ monolayer. A structural model is proposed which accounts for the observed STM features. The principal structural subunit is shown to be an ordered arrangement of four boron atoms at substitutional sites in the first bulklike silicon layer, which is then capped with ordered arrangements of silicon dimers and dimer vacancies.