Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, Ji-Sang | - |
dc.contributor.author | Huang, Bing | - |
dc.contributor.author | Wei, Su-Huai | - |
dc.contributor.author | Kang, Joongoo | - |
dc.contributor.author | McMahon, William E. | - |
dc.date.available | 2017-07-11T05:46:47Z | - |
dc.date.created | 2017-04-10 | - |
dc.date.issued | 2015-09 | - |
dc.identifier.issn | 1884-4049 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.11750/2854 | - |
dc.description.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. | - |
dc.publisher | Nature Publishing Group | - |
dc.title | Period-doubling reconstructions of semiconductor partial dislocations | - |
dc.type | Article | - |
dc.identifier.doi | 10.1038/am.2015.102 | - |
dc.identifier.scopusid | 2-s2.0-84975317238 | - |
dc.identifier.bibliographicCitation | NPG Asia Materials, v.7, no.9 | - |
dc.description.isOpenAccess | FALSE | - |
dc.subject.keywordPlus | Dislocation Core | - |
dc.subject.keywordPlus | Dislocation Lines | - |
dc.subject.keywordPlus | Electronic Properties | - |
dc.subject.keywordPlus | ENERGY | - |
dc.subject.keywordPlus | GaAs | - |
dc.subject.keywordPlus | Hybrid Density Functional Calculations | - |
dc.subject.keywordPlus | Optoelectronic Devices | - |
dc.subject.keywordPlus | Partial Dislocations | - |
dc.subject.keywordPlus | Passivation Strategy | - |
dc.subject.keywordPlus | Period Doubling | - |
dc.subject.keywordPlus | Recombination Centers | - |
dc.subject.keywordPlus | RELAXATION | - |
dc.subject.keywordPlus | Repair | - |
dc.subject.keywordPlus | Silicon | - |
dc.subject.keywordPlus | Single Period | - |
dc.subject.keywordPlus | SOLAR-CELLS | - |
dc.subject.keywordPlus | STATES | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | Buffer Layers | - |
dc.subject.keywordPlus | CORES | - |
dc.subject.keywordPlus | DENSITY | - |
dc.citation.number | 9 | - |
dc.citation.title | NPG Asia Materials | - |
dc.citation.volume | 7 | - |