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Title: Electronic properties of InP (001)/HfO{sub 2} (001) interface: Band offsets and oxygen dependence

Using ab-initio methods, atomic structures and electronic properties of InP (001)/HfO{sub 2} (001) interface are studied within the framework of density functional theory. We examine the InP/HfO{sub 2} 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)/HfO{sub 2} (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 HfO{sub 2} on InP.
Authors:
; ; ;  [1] ;  [2] ; ;  [1] ;  [3]
  1. Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, Texas 75080 (United States)
  2. Department of Electronics and Microelectronics and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300071 (China)
  3. (United States)
Publication Date:
OSTI Identifier:
22271264
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 2; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CONCENTRATION RATIO; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; HAFNIUM OXIDES; INDIUM PHOSPHIDES; INTERFACES; OXIDATION; OXYGEN; PHASE STABILITY; SURFACES