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Polymerization of defect states at dislocation cores in InAs

Title
Polymerization of defect states at dislocation cores in InAs
Author(s)
Park, Ji-SangKang, JoongooYang, Ji-HuiMcMahon, W. E.Wei, Su-Huai
Issued Date
2016-01-28
Citation
Journal of Applied Physics, v.119, no.4
Type
Article
Keywords
AB-INITIOCalculationsDefect BandsDefect LevelsDefect StateDefectsDislocation CoreDISPERSIONSELECTRONIC STATESElectronic StructureENERGYEnergy GapFirst-Principles CalculationGaAsIII-V semiconductorsPartial DislocationsPassivationPoint DefectsRecombination CentersRepairSemiconductor DevicesSpatial Proximity
ISSN
0021-8979
Abstract
Dislocations are essentially lines of point defects which can act as recombination centers in semiconductor devices. These point defects do not behave as isolated defects. Their spatial proximity enables them to hybridize into a one-dimensional band, and the distribution of resulting defect-band states is determined by both the position of the band and its dispersion. In the case of glissile 90° partial dislocations in III-V semiconductors, the dislocation core can adopt a variety of different reconstructions. Each of these reconstructions has a different arrangement of point defects, which affects the hybridization into defect bands and their associated dispersion. Here, we illustrate these principles by performing first-principles calculations for InAs and find that some defect levels for InAs dislocations lie outside of the band gap where they cannot act as recombination centers. To provide some insight into the electronic structure of dislocations in ternary alloys, some examples relevant to InGaAs and GaAsP are included. © 2016 AIP Publishing LLC.
URI
http://hdl.handle.net/20.500.11750/2732
DOI
10.1063/1.4940743
Publisher
American Institute of Physics Publishing
Related Researcher
  • 강준구 Kang, Joongoo
  • Research Interests Computational Materials Science & Materials Design; Nanomaterials for Energy Applications; Theoretical Condensed Matter Physics
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Department of Physics and Chemistry Computational Materials Theory Group 1. Journal Articles

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