Polymerization of defect states at dislocation cores in InAs

Park, Ji-Sang; Kang, Joongoo; Yang, Ji-Hui; McMahon, William E.; Wei, Su-Huai

doi:10.1063/1.4940743

Title: Polymerization of defect states at dislocation cores in InAs

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. Furthermore, 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.

Authors:

Park, Ji-Sang ^[1]; Kang, Joongoo ^[2]; Yang, Ji-Hui ^[1]; McMahon, William E. ^[1]; Wei, Su-Huai ^[3]

National Renewable Energy Lab. (NREL), Golden, CO (United States)
DGIST, Daegu (South Korea)
National Renewable Energy Lab. (NREL), Golden, CO (United States); Beijing Computational Science Research Center, Beijing (China)

Publication Date:: Thu Jan 28 00:00:00 EST 2016

Research Org.:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office

OSTI Identifier:: 1238759

Alternate Identifier(s):: OSTI ID: 1236279

Report Number(s):: NREL/JA-5K00-65092
Journal ID: ISSN 0021-8979; JAPIAU

Grant/Contract Number:: AC36-08GO28308

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Volume: 119; Journal Issue: 4; Related Information: Journal of Applied Physics; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 14 SOLAR ENERGY; 36 MATERIALS SCIENCE; dislocations; III-V semiconductors; band gaps; point defects; defect levels; crystallographic defects; crystal lattices; electronic bandstructure; electronic coupling; alloys; polarons; spintronics; semiconductor devices; elastic energy; first-principle calculations

Citation Formats


                    Park, Ji-Sang, Kang, Joongoo, Yang, Ji-Hui, McMahon, William E., and Wei, Su-Huai. Polymerization of defect states at dislocation cores in InAs.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4940743.

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                    Park, Ji-Sang, Kang, Joongoo, Yang, Ji-Hui, McMahon, William E., & Wei, Su-Huai. Polymerization of defect states at dislocation cores in InAs.  United States.  https://doi.org/10.1063/1.4940743

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                    Park, Ji-Sang, Kang, Joongoo, Yang, Ji-Hui, McMahon, William E., and Wei, Su-Huai. Thu .  
"Polymerization of defect states at dislocation cores in InAs".  United States.  https://doi.org/10.1063/1.4940743.  https://www.osti.gov/servlets/purl/1238759.

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@article{osti_1238759,

  title        = {Polymerization of defect states at dislocation cores in InAs},

  author       = {Park, Ji-Sang and Kang, Joongoo and Yang, Ji-Hui and McMahon, William E. and Wei, Su-Huai},

  abstractNote = {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. Furthermore, 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.},

  doi          = {10.1063/1.4940743},

  journal      = {Journal of Applied Physics},

  number       = 4,

  volume       = 119,

  place        = {United States},

  year         = {Thu Jan 28 00:00:00 EST 2016},

  month        = {Thu Jan 28 00:00:00 EST 2016}

}

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Works referenced in this record:

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Similar Records

Title: Polymerization of defect states at dislocation cores in InAs

Abstract

Citation Formats

Photoluminescence at Dislocations in GaAs journal, October 1974

Direct observation of dislocation effects on threshold voltage of a GaAs field‐effect transistor journal, November 1983

Effect of dislocations on the efficiency of thin‐film GaAs solar cells on Si substrates journal, March 1986

Dislocations in strained-layer epitaxy: theory, experiment, and applications journal, November 1991

Plastic relaxation and relaxed buffer layers for semiconductor epitaxy journal, April 1996

Passivation of deep level states caused by misfit dislocations in InGaAs on patterned GaAs journal, March 1993

Passivation of dislocations in GaAs grown on Si substrates by phosphine (PH3) plasma exposure journal, May 2001

Passivation of deep electronic states of partial dislocations in GaAs: A theoretical study journal, March 2010

Mg Doping Affects Dislocation Core Structures in GaN journal, July 2013

Period-doubling reconstructions of semiconductor partial dislocations journal, September 2015

Theoretical Calculations of Electron States Associated with Dislocations journal, June 1979

Recent Results on the Structure of Dislocations in Tetrahedrally Coordinated Semiconductors journal, June 1979

Structure and energy of the partial dislocation cores in GaAs journal, July 2006

Dislocation cores and their electronic states: partial dislocations in GaAs journal, December 2003

Dislocation core properties in semiconductors journal, June 2001

Density functional calculations of the structure and properties of impurities and dislocations in semiconductors journal, August 1993

Period-Doubled Structure for the 90 ° Partial Dislocation in Silicon journal, July 1997

Structure and Energy of the 90 ° Partial Dislocation in Diamond: A Combined Ab Initio and Elasticity Theory Analysis journal, June 2000

Reconstruction energies of partial dislocations in cubic semiconductors journal, October 2007

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Hybrid functionals based on a screened Coulomb potential journal, May 2003

Projector augmented-wave method journal, December 1994

Semiconductors: Data Handbook book, January 2004

Conduction-band offset of single InAs monolayers on GaAs journal, February 2000

Composition dependence of band alignments in GaxIn1−xAsySb1−y heterojunctions lattice matched to GaSb and InAs journal, November 2013

Photoluminescence at Dislocations in GaAs
journal, October 1974

Direct observation of dislocation effects on threshold voltage of a GaAs field‐effect transistor
journal, November 1983

Effect of dislocations on the efficiency of thin‐film GaAs solar cells on Si substrates
journal, March 1986

Dislocations in strained-layer epitaxy: theory, experiment, and applications
journal, November 1991

Plastic relaxation and relaxed buffer layers for semiconductor epitaxy
journal, April 1996

Passivation of deep level states caused by misfit dislocations in InGaAs on patterned GaAs
journal, March 1993

Passivation of dislocations in GaAs grown on Si substrates by phosphine (PH3) plasma exposure
journal, May 2001

Passivation of deep electronic states of partial dislocations in GaAs: A theoretical study
journal, March 2010

Mg Doping Affects Dislocation Core Structures in GaN
journal, July 2013

Period-doubling reconstructions of semiconductor partial dislocations
journal, September 2015

Theoretical Calculations of Electron States Associated with Dislocations
journal, June 1979

Recent Results on the Structure of Dislocations in Tetrahedrally Coordinated Semiconductors
journal, June 1979

Structure and energy of the partial dislocation cores in GaAs
journal, July 2006

Dislocation cores and their electronic states: partial dislocations in GaAs
journal, December 2003

Dislocation core properties in semiconductors
journal, June 2001

Density functional calculations of the structure and properties of impurities and dislocations in semiconductors
journal, August 1993

Period-Doubled Structure for the $90 °$ Partial Dislocation in Silicon
journal, July 1997

Structure and Energy of the $90 °$ Partial Dislocation in Diamond: A Combined Ab Initio and Elasticity Theory Analysis
journal, June 2000

Reconstruction energies of partial dislocations in cubic semiconductors
journal, October 2007

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

Projector augmented-wave method
journal, December 1994

Semiconductors: Data Handbook
book, January 2004

Conduction-band offset of single InAs monolayers on GaAs
journal, February 2000

Composition dependence of band alignments in GaxIn1−xAsySb1−y heterojunctions lattice matched to GaSb and InAs
journal, November 2013