Document Type


Publication Date

January 2014

Publication Title

Journal of Applied Physics




Using ab-initio methods, atomic structures and electronic properties of InP (001)/HfO2 (001) interface are studied within the framework of density functional theory. We examine the InP/HfO2 model interface electronic structures under varying oxidation conditions. The effects of indium and phosphorous concentrations on interfacial bonding, defect states, band offsets, and the thermodynamic stability at the interface are also investigated. The origin of interfacial gap states in InP (001)/HfO2 (001) interface are proposed, mainly from the P-rich oxides, which is validated by our experimental work. This highlights the importance of surface passivation prior to high-κ deposition based on the in situ spectroscopic results of atomic layer deposition of HfO2 on InP.


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 115, 2014, and may be found at© 2014 AIP Publishing LLC.