Document Type


Publication Date

March 2013

Publication Title

Journal of Applied Physics




A theoretical study of the oxidation of InP(001)-(2 × 4) surface is performed using density functional theory methods. Our results on surface oxidation show that the oxygen adsorption does not produce any gap states in the bulk InP band gap, due to the saturation of surface In dangling bonds, whereas substitutional oxygen atoms produce gap states. This study also shows that the surface stability increases with the oxygen content, indicating a strong tendency for surface oxidation. Our results help to clarify the origin of surface gap states upon surface oxidation and provide an insight at the atomic level the mechanism of surface oxidation, which will assist in the understanding of the degradation of III-V devices upon oxygen exposure or interfacial oxidation with high dielectric constant oxides.


SJSU users: Use the following link to login and access the article via SJSU databases.This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in the Journal of Applied Physics, volume 113, issue 10, 2013, and may be found at© 2013 American Institute of Physics