Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory

et al.

Detalles Bibliográficos
Autores: Chinchore, Abhijit V., Smith, Arthur R., Ordejón, Pablo
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2013
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/99432
Acceso en línea:http://hdl.handle.net/10261/99432
Access Level:acceso abierto
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spelling Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theoryChinchore, Abhijit V.Smith, Arthur R.Ordejón, Pabloet al.Manganese deposited on the N-polar face of wurtzite gallium nitride [GaN (0001̄)] results in two unique surface reconstructions, depending on the deposition temperature. At lower temperature (less than 105ºC), it is found that a metastable 3×3 structure forms. Mild annealing of this Mn 3×3 structure leads to an irreversible phase transition to a different, much more stable √3×√3-R30º structure which can withstand high-temperature annealing. Scanning tunneling microscopy (STM) and reflection high-energy electron diffraction data are compared with results from first-principles theoretical calculations. Theory finds a lowest-energy model for the 3×3 structure consisting of Mn trimers bonded to the Ga adlayer atoms but not with N atoms. The lowest-energy model for the more stable √3×√3-R30º structure involves Mn atoms substituting for Ga within the Ga adlayer and thus bonding with N atoms. Tersoff-Hamman simulations of the resulting lowest-energy structural models are found to be in very good agreement with the experimental STM images.Research supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-FG02-06ER46317 (STM studies of nanoscale spintronic nitride systems) and by the National Science Foundation under Award No. 0730257 (advancing nanospintronics through international collaboration). V.F. and M.A.B. would like to acknowledge support from CONICET (PIP0038) and ANPCyT (PICT1857) as well as the Ohio Supercomputing Center for computer time. P.O. was supported by Spanish MICINN (FIS2009-12721-C04-01, FIS2012-37549-C05-02 and CSD2007-00050).Peer reviewedAmerican Physical SocietyMinisterio de Ciencia e Innovación (España)Department of Energy (US)National Science Foundation (US)Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]201420142013info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/99432reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.1103/PhysRevB.87.165426Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/994322026-05-22T06:33:51Z
dc.title.none.fl_str_mv Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
title Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
spellingShingle Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
Chinchore, Abhijit V.
title_short Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
title_full Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
title_fullStr Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
title_full_unstemmed Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
title_sort Manganese 3×3 and √3 × √3-R30º structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
dc.creator.none.fl_str_mv Chinchore, Abhijit V.
Smith, Arthur R.
Ordejón, Pablo
author Chinchore, Abhijit V.
author_facet Chinchore, Abhijit V.
Smith, Arthur R.
Ordejón, Pablo
author_role author
author2 Smith, Arthur R.
Ordejón, Pablo
author2_role author
author
dc.contributor.none.fl_str_mv Ministerio de Ciencia e Innovación (España)
Department of Energy (US)
National Science Foundation (US)
Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description et al.
publishDate 2013
dc.date.none.fl_str_mv 2013
2014
2014
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/99432
url http://hdl.handle.net/10261/99432
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1103/PhysRevB.87.165426
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,811543

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