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Atomistic Mechanisms for the Thermal Relaxation of Au -hyperdoped Si

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dc.contributor.authorYang, Wenjie
dc.contributor.authorHudspeth, Quentin
dc.contributor.authorChow, Philippe K.
dc.contributor.authorWarrender, Jeffrey M.
dc.contributor.authorFerdous, N.
dc.contributor.authorErtekin, E.
dc.contributor.authorMalladi, G.
dc.contributor.authorAkey, Austin J.
dc.contributor.authorAziz, Michael J.
dc.contributor.authorWilliams, James
dc.date.accessioned2020-06-19T00:54:07Z
dc.date.available2020-06-19T00:54:07Z
dc.date.issued2019
dc.date.updated2020-01-19T07:27:21Z
dc.description.abstractAu-hyperdoped Si produced by ion implantation and pulsed laser melting exhibits sub-band-gap absorption in the near infrared, a property that is interesting for Si photonics. However, the sub-band-gap absorption has previously been shown to be thermally metastable. In this work, we study the atomistic processes that occur during the thermal relaxation of Au-hyperdoped Si. We show that the first step in thermal relaxation is the release of substitutional Au from lattice sites. This process is characterized by an activation energy of around 1.6 eV, a value similar to that associated with Au diffusion in Si, suggesting that both processes could be rate limited by the exchange of substitutional and interstitial Au atoms. As the system further relaxes, Au is found to locally diffuse and become trapped at nearby lattice defects, notably vacancies and vacancy complexes. In fact, density-functional theory results suggest that the formation of Au dimers is energetically favourable after the Au becomes locally trapped. The dimers could subsequently evolve into trimers, etc., as other diffusing Au atoms become trapped at the dimer. At low Au concentrations, this clustering process does not form visible precipitation after annealing at 750 ◦C for 3 min. In contrast, spherical Au precipitates are found in samples with higher Au concentrations (>0.14 at. %), where the Au atoms and the associated lattice defect distributions are laterally inhomogeneous.en_AU
dc.description.sponsorshipFunding from the U.S. Army under Contract No. FA5209-16-P-0104 is acknowledged for partial support of this work. This work was performed in part at the Center for Nanoscale Systems (CNS), a member of the National Nanotechnology Coordinated Infrastructure Network (NNCI), which is supported by the National Science Foundation under NSF Grant No. 1541959. CNS is part of Harvard University.en_AU
dc.format.mimetypeapplication/pdfen_AU
dc.identifier.issn2331-7019en_AU
dc.identifier.urihttp://hdl.handle.net/1885/205328
dc.language.isoen_AUen_AU
dc.provenancehttp://sherpa.ac.uk/romeo/issn/2331-7019/..."author can archive publisher's version/PDF" from SHERPA/RoMEO site (as at 19/06/2020).en_AU
dc.publisherAmerican Physical Societyen_AU
dc.rights© 2019 American Physical Societyen_AU
dc.sourcePhysical Review Applieden_AU
dc.titleAtomistic Mechanisms for the Thermal Relaxation of Au -hyperdoped Sien_AU
dc.typeJournal articleen_AU
dcterms.accessRightsOpen Accessen_AU
local.bibliographicCitation.issue2en_AU
local.bibliographicCitation.lastpage024015-8en_AU
local.bibliographicCitation.startpage024015-1en_AU
local.contributor.affiliationYang, Wenjie, College of Science, ANUen_AU
local.contributor.affiliationHudspeth, Quentin, U.S. Armyen_AU
local.contributor.affiliationChow, Philippe K., U.S. Armyen_AU
local.contributor.affiliationWarrender, Jeffrey M., US Armyen_AU
local.contributor.affiliationFerdous, N., University of Illinois Urbana-Champaignen_AU
local.contributor.affiliationErtekin, E., University of Illinois Urbana-Champaignen_AU
local.contributor.affiliationMalladi, G., SUNY College of Nanoscale Science and Engineeringen_AU
local.contributor.affiliationAkey, Austin J. , Harvard School of Engineering and Applied Scienceen_AU
local.contributor.affiliationAziz, Michael J., Harvard John A. Paulson School of Engineering and Applied Sciencesen_AU
local.contributor.affiliationWilliams, James, College of Science, ANUen_AU
local.contributor.authoremailu8809701@anu.edu.auen_AU
local.contributor.authoruidYang, Wenjie, u5510882en_AU
local.contributor.authoruidWilliams, James, u8809701en_AU
local.description.notesImported from ARIESen_AU
local.identifier.absfor020406 - Surfaces and Structural Properties of Condensed Matteren_AU
local.identifier.absfor091204 - Elemental Semiconductorsen_AU
local.identifier.absseo810104 - Emerging Defence Technologiesen_AU
local.identifier.absseo861799 - Communication Equipment not elsewhere classifieden_AU
local.identifier.absseo970102 - Expanding Knowledge in the Physical Sciencesen_AU
local.identifier.ariespublicationu3102795xPUB4255en_AU
local.identifier.citationvolume12en_AU
local.identifier.doi10.1103/PhysRevApplied.12.024015en_AU
local.identifier.scopusID2-s2.0-85070539879
local.identifier.uidSubmittedByu3102795en_AU
local.publisher.urlhttps://www.aps.org/en_AU
local.type.statusPublished Versionen_AU

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