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

Journal Article · Thu Jan 28 00:00:00 EST 2016 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4940743· OSTI ID:1238759

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)

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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

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

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1238759

Alternate ID(s):: OSTI ID: 1236279

Report Number(s):: NREL/JA-5K00-65092; JAPIAU

Journal Information:: Journal of Applied Physics, Vol. 119, Issue 4; Related Information: Journal of Applied Physics; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 7 works

Citation information provided by
Web of Science

References (25)

Photoluminescence at Dislocations in GaAs Heinke, W.; Queisser, H. J. Physical Review Letters, Vol. 33, Issue 18 https://doi.org/10.1103/PhysRevLett.33.1082	journal	October 1974
Direct observation of dislocation effects on threshold voltage of a GaAs field‐effect transistor Miyazawa, Shintaro; Ishii, Yasunobu; Ishida, Satoru Applied Physics Letters, Vol. 43, Issue 9 https://doi.org/10.1063/1.94526	journal	November 1983
Effect of dislocations on the efficiency of thin‐film GaAs solar cells on Si substrates Yamaguchi, Masafumi; Yamamoto, Akio; Itoh, Yoshio Journal of Applied Physics, Vol. 59, Issue 5 https://doi.org/10.1063/1.336439	journal	March 1986
Dislocations in strained-layer epitaxy: theory, experiment, and applications Fitzgerald, E. A. Materials Science Reports, Vol. 7, Issue 3 https://doi.org/10.1016/0920-2307(91)90006-9	journal	November 1991
Plastic relaxation and relaxed buffer layers for semiconductor epitaxy Beanland, R.; Dunstan, D. J.; Goodhew, P. J. Advances in Physics, Vol. 45, Issue 2 https://doi.org/10.1080/00018739600101477	journal	April 1996
Passivation of deep level states caused by misfit dislocations in InGaAs on patterned GaAs Matragrano, M. J.; Watson, G. P.; Ast, D. G. Applied Physics Letters, Vol. 62, Issue 12 https://doi.org/10.1063/1.108697	journal	March 1993
Passivation of dislocations in GaAs grown on Si substrates by phosphine (PH3) plasma exposure Wang, G.; Ogawa, T.; Soga, T. Applied Physics Letters, Vol. 78, Issue 22 https://doi.org/10.1063/1.1376433	journal	May 2001
Passivation of deep electronic states of partial dislocations in GaAs: A theoretical study Zhang, Lixin; McMahon, W. E.; Wei, Su-Huai Applied Physics Letters, Vol. 96, Issue 12 https://doi.org/10.1063/1.3364140	journal	March 2010
Mg Doping Affects Dislocation Core Structures in GaN Rhode, S. K.; Horton, M. K.; Kappers, M. J. Physical Review Letters, Vol. 111, Issue 2 https://doi.org/10.1103/PhysRevLett.111.025502	journal	July 2013
Period-doubling reconstructions of semiconductor partial dislocations Park, Ji-Sang; Huang, Bing; Wei, Su-Huai NPG Asia Materials, Vol. 7, Issue 9 https://doi.org/10.1038/am.2015.102	journal	September 2015
Theoretical Calculations of Electron States Associated with Dislocations Jones, R. Le Journal de Physique Colloques, Vol. 40, Issue C6 https://doi.org/10.1051/jphyscol:1979607	journal	June 1979
Recent Results on the Structure of Dislocations in Tetrahedrally Coordinated Semiconductors Hirsch, P. B. Le Journal de Physique Colloques, Vol. 40, Issue C6 https://doi.org/10.1051/jphyscol:1979606	journal	June 1979
Structure and energy of the partial dislocation cores in GaAs Beckman, S. P.; Chrzan, D. C. physica status solidi (b), Vol. 243, Issue 9 https://doi.org/10.1002/pssb.200666808	journal	July 2006
Dislocation cores and their electronic states: partial dislocations in GaAs Beckman, S. P.; Chrzan, D. C. Physica B: Condensed Matter, Vol. 340-342 https://doi.org/10.1016/j.physb.2003.09.189	journal	December 2003
Dislocation core properties in semiconductors Justo, João F.; Antonelli, A.; Fazzio, A. Solid State Communications, Vol. 118, Issue 12 https://doi.org/10.1016/S0038-1098(01)00197-1	journal	June 2001
Density functional calculations of the structure and properties of impurities and dislocations in semiconductors Jones, R.; Umerski, A.; Sitch, P. Physica Status Solidi (a), Vol. 138, Issue 2 https://doi.org/10.1002/pssa.2211380203	journal	August 1993
Period-Doubled Structure for the $90 °$ Partial Dislocation in Silicon Bennetto, J.; Nunes, R. W.; Vanderbilt, David Physical Review Letters, Vol. 79, Issue 2 https://doi.org/10.1103/PhysRevLett.79.245	journal	July 1997
Structure and Energy of the $90 °$ Partial Dislocation in Diamond: A Combined Ab Initio and Elasticity Theory Analysis Blase, X.; Lin, Karin; Canning, A. Physical Review Letters, Vol. 84, Issue 25 https://doi.org/10.1103/PhysRevLett.84.5780	journal	June 2000
Reconstruction energies of partial dislocations in cubic semiconductors Beckman, S. P.; Chrzan, D. C. Physical Review B, Vol. 76, Issue 14 https://doi.org/10.1103/PhysRevB.76.144110	journal	October 2007
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Semiconductors: Data Handbook Madelung, Otfried https://doi.org/10.1007/978-3-642-18865-7	book	January 2004
Conduction-band offset of single InAs monolayers on GaAs Colombelli, Raffaele; Piazza, Vincenzo; Badolato, Antonio Applied Physics Letters, Vol. 76, Issue 9 https://doi.org/10.1063/1.125965	journal	February 2000
Composition dependence of band alignments in GaxIn1−xAsySb1−y heterojunctions lattice matched to GaSb and InAs Shim, Kyurhee Journal of Applied Physics, Vol. 114, Issue 20 https://doi.org/10.1063/1.4834536	journal	November 2013

Similar Records

Polymerization of defect states at dislocation cores in InAs

Journal Article · Thu Jan 28 00:00:00 EST 2016 · Journal of Applied Physics · OSTI ID:1238759

Park, Ji-Sang; Yang, Ji-Hui; Kang, Joongoo; +1 more

Dislocations in interfaces in the h.c.p. metals. 2: Mechanisms of defect mobility under stress

Journal Article · Wed Mar 31 00:00:00 EST 1999 · Acta Materialia · OSTI ID:1238759

Pond, R C; Bacon, D J; Serra, A

Period-doubling reconstructions of semiconductor partial dislocations

Journal Article · Fri Sep 18 00:00:00 EDT 2015 · NPG Asia Materials (Online) · OSTI ID:1238759

Park, Ji -Sang; Huang, Bing; Wei, Su -Huai; +2 more

Related Subjects

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

Title: Polymerization of defect states at dislocation cores in InAs

Citation Formats

References (25)

Similar Records

Related Subjects