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Title: Band offsets and electronic structures of interface between In{sub 0.5}Ga{sub 0.5}As and InP

III–V semiconductor interfacing with high-κ gate oxide is crucial for the high mobility metal-oxide-semiconductor field transistor device. With density functional theory calculations, we explored the band offsets and electronic structures of the In{sub 0.5}Ga{sub 0.5}As/InP interfaces with various interfacial bondings. Among six different bonding interfaces, we found that P-In(Ga) bonding interface showed the highest stability. Local density of states calculations was adopted to calculate the band offsets. Except for the metallic interface, we noticed that neither valence band offset nor conduction band offset depended on the interfacial bondings. For the most stable P-In(Ga) interface, we did not observe any gap states. Furthermore, we explored the P-In(Ga) interfaces with interfacial P-As exchange defects, which slightly modified the interface stability and the band offsets but did not produce any gap states. These findings provide solid evidence that InP could serve as a promising interfacial passivation layer between III–V material and high-κ oxide in the application of high mobility devices.
Authors:
 [1] ;  [2] ; ;  [3] ;  [1]
  1. School of Physical Science and Engineering and Key Laboratory of Materials Physics of Ministry of Education of China, Zhengzhou University, Zhengzhou 450052 (China)
  2. (China)
  3. College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071 (China)
Publication Date:
OSTI Identifier:
22494993
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 119; Journal Issue: 5; Other Information: (c) 2016 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; BONDING; INDIUM PHOSPHIDES; INTERFACES; MOBILITY; MOSFET; OXIDES; VALENCE