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dc.contributor.author Park, Ji-Sang -
dc.contributor.author Kang, Joongoo -
dc.contributor.author Yang, Ji-Hui -
dc.contributor.author McMahon, W. E. -
dc.contributor.author Wei, Su-Huai -
dc.date.available 2017-07-11T05:36:39Z -
dc.date.created 2017-04-10 -
dc.date.issued 2016-01-28 -
dc.identifier.issn 0021-8979 -
dc.identifier.uri http://hdl.handle.net/20.500.11750/2732 -
dc.description.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. -
dc.publisher American Institute of Physics Publishing -
dc.title Polymerization of defect states at dislocation cores in InAs -
dc.type Article -
dc.identifier.doi 10.1063/1.4940743 -
dc.identifier.scopusid 2-s2.0-84956639596 -
dc.identifier.bibliographicCitation Journal of Applied Physics, v.119, no.4 -
dc.subject.keywordPlus AB-INITIO -
dc.subject.keywordPlus Calculations -
dc.subject.keywordPlus Defect Bands -
dc.subject.keywordPlus Defect Levels -
dc.subject.keywordPlus Defect State -
dc.subject.keywordPlus Defects -
dc.subject.keywordPlus Dislocation Core -
dc.subject.keywordPlus DISPERSIONS -
dc.subject.keywordPlus ELECTRONIC STATES -
dc.subject.keywordPlus Electronic Structure -
dc.subject.keywordPlus ENERGY -
dc.subject.keywordPlus Energy Gap -
dc.subject.keywordPlus First-Principles Calculation -
dc.subject.keywordPlus GaAs -
dc.subject.keywordPlus III-V semiconductors -
dc.subject.keywordPlus Partial Dislocations -
dc.subject.keywordPlus Passivation -
dc.subject.keywordPlus Point Defects -
dc.subject.keywordPlus Recombination Centers -
dc.subject.keywordPlus Repair -
dc.subject.keywordPlus Semiconductor Devices -
dc.subject.keywordPlus Spatial Proximity -
dc.citation.number 4 -
dc.citation.title Journal of Applied Physics -
dc.citation.volume 119 -
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Department of Physics and Chemistry Computational Materials Theory Group 1. Journal Articles

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