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A unified approach to modelling the charge state of monatomic hydrogen and other defects in crystalline silicon

Sun, Chang; Rougieux, Fiacre E.; Macdonald, Daniel

Description

There are a number of existing models for estimating the charge states of defects in silicon. In order of increasing complexity, these are (a) the Fermi-Dirac distribution, (b) the Shockley-Last model, (c) the Shockley-Read-Hall model, and (d) the Sah-Shockley model. In this work, we demonstrate their consistency with the general occupancy ratio α, and show that this parameter can be universally applied to predict the charge states of both monovalent and multivalent deep levels, under either...[Show more]

dc.contributor.authorSun, Chang
dc.contributor.authorRougieux, Fiacre E.
dc.contributor.authorMacdonald, Daniel
dc.date.accessioned2015-06-04T02:39:17Z
dc.date.available2015-06-04T02:39:17Z
dc.identifier.issn0021-8979
dc.identifier.urihttp://hdl.handle.net/1885/13776
dc.description.abstractThere are a number of existing models for estimating the charge states of defects in silicon. In order of increasing complexity, these are (a) the Fermi-Dirac distribution, (b) the Shockley-Last model, (c) the Shockley-Read-Hall model, and (d) the Sah-Shockley model. In this work, we demonstrate their consistency with the general occupancy ratio α, and show that this parameter can be universally applied to predict the charge states of both monovalent and multivalent deep levels, under either thermal equilibrium or steady-state conditions with carrier injection. The capture cross section ratio is shown to play an important role in determining the charge state under non-equilibrium conditions. The application of the general occupancy ratio is compared with the quasi-Fermi levels, which are sometimes used to predict the charge states in the literature, and the conditions where the latter can be a good approximation are identified. The general approach is then applied to the prediction of the temperature- and injection level-dependent charge states for the technologically important case of multivalent monatomic hydrogen, and several other key monovalent deep levels including Fe, Cr, and the boron-oxygen complex in silicon solar cells. For the case of hydrogen, we adapt the model of Herring et al., which describes the charge states of hydrogen in thermal equilibrium, and generalize it for non-equilibrium conditions via the inclusion of the general occupancy ratio, while retaining the pre-factors which make the model more complete. Based on these results, the impact of temperature and injection on the hydrogenation of the key monovalent defects, and other pairing reactions, are discussed, demonstrating that the presented model provides a rigorous methodology for understanding the impact of charge states.
dc.description.sponsorshipThis work has been supported through the Australian Renewable Energy Agency (ARENA) fellowships program, project 1-GER010, and the Australian Centre for Advanced Photovoltaics; and also by the Australian Research Council (ARC) Future Fellowships program.
dc.publisherAmerican Institute of Physics
dc.rightsCopyright 2015 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
dc.rightshttp://www.sherpa.ac.uk/romeo/issn/0021-8979/..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 4/06/15). The following article appeared in Journal of Applied Physics, Vol. 117, Issue 4 (045702) and may be found at https://dx.doi.org/10.1063/1.4906465.
dc.sourceJournal of Applied Physics
dc.subjectKeywords: Chromium compounds; Defects; Forecasting; Hydrogen; Silicon; Silicon solar cells; Thermodynamics; Capture cross sections; Fermi-Dirac distribution; Impact of temperatures; Nonequilibrium conditions; Rigorous methodologies; Shockley-Read-Hall models; Stead
dc.titleA unified approach to modelling the charge state of monatomic hydrogen and other defects in crystalline silicon
dc.typeJournal article
local.identifier.citationvolume117
dcterms.dateAccepted2015-01-12
dc.date.issued2015-01-22
local.identifier.absfor090000 - ENGINEERING
local.identifier.absfor090600 - ELECTRICAL AND ELECTRONIC ENGINEERING
local.identifier.absfor090605 - Photodetectors, Optical Sensors and Solar Cells
local.identifier.ariespublicationa383154xPUB1181
local.publisher.urlhttp://www.aip.org/
local.type.statusPublished Version
local.contributor.affiliationSun, C., Research School of Engineering, College of Engineering and Computer Science, The Australian National University
local.contributor.affiliationRougieux, F. E., Research School of Engineering, College of Engineering and Computer Science, Australian National University
local.contributor.affiliationMacdonald, D., Research School of Engineering, College of Engineering and Computer Science, Australian National University
local.bibliographicCitation.issue4
local.bibliographicCitation.startpage045702
local.bibliographicCitation.lastpage11
local.identifier.doi10.1063/1.4906465
dc.date.updated2020-08-23T09:43:49Z
local.identifier.scopusID2-s2.0-84923673763
local.identifier.thomsonID000348998200062
CollectionsANU Research Publications

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