Abstract
Abstract A molecular orbital description for the chemisorption of atomic oxygen onto non-polar surfaces of compound semiconductors shows that π - as well as sp 3 -based σ-bonding interactions are involved. By analogy with the bonding of terminal oxygen atoms in the molecules AsOF 3 , P 4 O 10 and POBr 3 , we conclude that the π -bonding can be described as an overlap between oxygen p-orbitals and unoccupied d-orbitals of the semiconductor surface atom (e.g., the arsenic atom on a (110) surface of GaAs). This shortens the bond-length by approximately 0.2A, and increases the bond-energy by about 13% for GaAs:O, and as much as 26% for GaP:O or InP:O. This type of surface bonding should occur in the III–V phosphides and arsenides, and perhaps for reconstructed Si surfaces, and ionic semiconductors such as ZnS and ZnSe.
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