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Title: Enhanced efficiency of p-type doping by band-offset effect in wurtzite and zinc-blende GaAs/InAs-core-shell nanowires

Using first principles calculation based on density-functional theory, we investigated p-type electronic structures and the doping mechanism in wurtzite (WZ) and zinc-blende (ZB) GaAs/InAs-core-shell nanowires (NWs) along the [0001] and [111] directions, respectively. Comparing the doping in WZ and ZB core-shell NWs, we found it is easier and more stable to realize dopant in WZ NWs. Due to the type I band-offset, p-type doping in the GaAs-core of GaAs{sub core}/InAs{sub shell} for both WZ and ZB NWs makes that the valence band-edge electrons in the InAs-shell can spontaneously transfer to the impurity states, forming one-dimensional hole gas. In particular, this process accompanies with a reverse transition in WZ core-shell nanowire due to the existence of antibonding and bonding states.
Authors:
; ; ; ; ;  [1] ;  [2]
  1. Key Laboratory of Polarized Materials and Devices, East china Normal University, shanghai 200241 (China)
  2. Department of Applied Physics, Donghua University, Shanghai 201620 (China)
Publication Date:
OSTI Identifier:
22314388
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 9; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; BOUND STATE; COMPARATIVE EVALUATIONS; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; GALLIUM ARSENIDES; INDIUM ARSENIDES; QUANTUM WIRES; ZINC SULFIDES