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Period-doubling reconstructions of semiconductor partial dislocations

Title
Period-doubling reconstructions of semiconductor partial dislocations
Authors
Park, JS[Park, Ji-Sang]Huang, B[Huang, Bing]Wei, SH[Wei, Su-Huai]Kang, J[Kang, Joongoo]McMahon, WE[McMahon, William E.]
DGIST Authors
Kang, J[Kang, Joongoo]
Issue Date
2015-09
Citation
NPG Asia Materials, 7
Type
Article
Article Type
Article
Keywords
Dislocation CoreDislocation LinesElectronic PropertiesHybrid Density Functional CalculationsOptoelectronic DevicesPartial DislocationsPassivation StrategyPeriod DoublingRecombination CentersRepairSingle Period
ISSN
1884-4049
Abstract
Atomic-scale understanding and control of dislocation cores is of great technological importance, because they act as recombination centers for charge carriers in optoelectronic devices. Using hybrid density-functional calculations, we present period-doubling reconstructions of a 90° partial dislocation in GaAs, for which the periodicity of like-atom dimers along the dislocation line varies from one to two, to four dimers. The electronic properties of a dislocation change drastically with each period doubling. The dimers in the single-period dislocation are able to interact, to form a dispersive one-dimensional band with deep-gap states. However, the inter-dimer interaction for the double-period dislocation becomes significantly reduced; hence, it is free of mid-gap states. The Ga core undergoes a further period-doubling transition to a quadruple-period reconstruction induced by the formation of small hole polarons. The competition between these dislocation phases suggests a new passivation strategy via population manipulation of the detrimental single-period phase. © 2015 Nature Publishing Group All rights reserved.
URI
http://hdl.handle.net/20.500.11750/2854
DOI
10.1038/am.2015.102
Publisher
Nature Publishing Group
Files:
There are no files associated with this item.
Collection:
Emerging Materials ScienceETC1. Journal Articles


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