The Influence of Oxygen and Fluorine on the Electronic Structure of InAlAs Surface.

The projector augmented-wave method is applied for investigation of oxygen and fluorine adsorption on the cation-terminated InAlAs(111) unreconstructed surface. The binding energies of both adsorbates with semiconductor surface are estimated. Their influence on the surface band structure and states within band gap is analyzed. It is shown that oxygen adsorption leads to appearance of additional surface states in the fundamental gap, whereas fluorine coadsorption results in partial or complete removal of the surface state and an unpinning of the Fermi level. [ABSTRACT FROM AUTHOR]