Symmetric versus nonsymmetric structure of the phosphorus vacancy on InP(110)

Abstract

A methodology to determine the atomic structure and the energy of charge transfer levels in the band gap of surface defects was established. The methodology employs a combination of scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. By linking STM and PES data, a charge transfer level (+/0) 0.75 ± 0.1 eV above the valence band was found. By comparing high resolution STM images with calculations, it was that the vacancy exhibit a rebonded nonsymmetric structure.