Manganese 3×3 and √3×√3-R30 â̂̃ structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory

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 105 â̂̃C), it is found that a metastable 3×3 structure forms. Mild annealing of this Mn 3×3 struct...

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Autores: Chinchore, Abhijit V., Wang, Kangkang, Shi, Meng, Mandru, Andrada, Liu, Yinghao, Haider, Muhammad, Smith, Arthur R., Ferrari, Valeria Paola, Barral, María Andrea, Ordejón, Pablo
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2013
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/77841
Acceso en línea:http://hdl.handle.net/11336/77841
Access Level:acceso abierto
Palabra clave:Gallium Nitride
Spintronics
Stm
Ab Initio Calculations
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
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spelling Manganese 3×3 and √3×√3-R30 â̂̃ structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theoryChinchore, Abhijit V.Wang, KangkangShi, MengMandru, AndradaLiu, YinghaoHaider, MuhammadSmith, Arthur R.Ferrari, Valeria PaolaBarral, María AndreaOrdejón, PabloGallium NitrideSpintronicsStmAb Initio Calculationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Manganese 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 105 â̂̃C), 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-R30â̂̃ 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-R30â̂̃ 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.Fil: Chinchore, Abhijit V.. Ohio University; Estados UnidosFil: Wang, Kangkang. Ohio University; Estados Unidos. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaFil: Shi, Meng. Ohio University; Estados UnidosFil: Mandru, Andrada. Ohio University; Estados UnidosFil: Liu, Yinghao. Ohio University; Estados UnidosFil: Haider, Muhammad. Ohio University; Estados UnidosFil: Smith, Arthur R.. Ohio University; Estados UnidosFil: Ferrari, Valeria Paola. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaFil: Barral, María Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; ArgentinaFil: Ordejón, Pablo. Consejo Superior de Investigaciones Científicas; España. Centro de Investigación en Nanociencia y Nanotecnología (CIN2); EspañaAmerican Physical Society2013-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/77841Chinchore, Abhijit V.; Wang, Kangkang; Shi, Meng; Mandru, Andrada; Liu, Yinghao; et al.; Manganese 3×3 and √3×√3-R30 â̂̃ structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 87; 16; 4-2013; 1654261-165426111098-0121CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://link.aps.org/doi/10.1103/PhysRevB.87.165426info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.87.165426info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T14:25:47Zoai:ri.conicet.gov.ar:11336/77841instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982024-05-08 14:25:47.705CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Manganese 3×3 and √3×√3-R30 â̂̃ 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-R30 â̂̃ 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-R30 â̂̃ structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory
Chinchore, Abhijit V.
Gallium Nitride
Spintronics
Stm
Ab Initio Calculations
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
title_short Manganese 3×3 and √3×√3-R30 â̂̃ 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-R30 â̂̃ 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-R30 â̂̃ 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-R30 â̂̃ 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-R30 â̂̃ 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.
Wang, Kangkang
Shi, Meng
Mandru, Andrada
Liu, Yinghao
Haider, Muhammad
Smith, Arthur R.
Ferrari, Valeria Paola
Barral, María Andrea
Ordejón, Pablo
author Chinchore, Abhijit V.
author_facet Chinchore, Abhijit V.
Wang, Kangkang
Shi, Meng
Mandru, Andrada
Liu, Yinghao
Haider, Muhammad
Smith, Arthur R.
Ferrari, Valeria Paola
Barral, María Andrea
Ordejón, Pablo
author_role author
author2 Wang, Kangkang
Shi, Meng
Mandru, Andrada
Liu, Yinghao
Haider, Muhammad
Smith, Arthur R.
Ferrari, Valeria Paola
Barral, María Andrea
Ordejón, Pablo
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Gallium Nitride
Spintronics
Stm
Ab Initio Calculations
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
topic Gallium Nitride
Spintronics
Stm
Ab Initio Calculations
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
description 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 105 â̂̃C), 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-R30â̂̃ 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-R30â̂̃ 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.
publishDate 2013
dc.date.none.fl_str_mv 2013-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/77841
Chinchore, Abhijit V.; Wang, Kangkang; Shi, Meng; Mandru, Andrada; Liu, Yinghao; et al.; Manganese 3×3 and √3×√3-R30 â̂̃ structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 87; 16; 4-2013; 1654261-16542611
1098-0121
CONICET Digital
CONICET
url http://hdl.handle.net/11336/77841
identifier_str_mv Chinchore, Abhijit V.; Wang, Kangkang; Shi, Meng; Mandru, Andrada; Liu, Yinghao; et al.; Manganese 3×3 and √3×√3-R30 â̂̃ structures and structural phase transition on w-GaN(0001̄) studied by scanning tunneling microscopy and first-principles theory; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 87; 16; 4-2013; 1654261-16542611
1098-0121
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://link.aps.org/doi/10.1103/PhysRevB.87.165426
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.87.165426
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 15,812429

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