Nanofilm versus Bulk Polymorphism in Wurtzite Materials

We generate a wide range of hexagonal sheet-based ZnO polymorphs inspired by enumeration of their characteristic underlying nets. Evaluating the bulk and nanofilm stabilities of these structures with ab initio calculations allows for an unprecedented overview of (nano)polymorphism in wurtzite materi...

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Detalhes bibliográficos
Autores: Demiroglu, Ilker, Bromley, Stefan Thomas
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2013
País:España
Recursos:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/133319
Acesso em linha:https://hdl.handle.net/2445/133319
Access Level:acceso abierto
Palavra-chave:Biofísica
Nanociència
Biophysics
Nanoscience
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spelling Nanofilm versus Bulk Polymorphism in Wurtzite MaterialsDemiroglu, IlkerBromley, Stefan ThomasBiofísicaNanociènciaBiophysicsNanoscienceWe generate a wide range of hexagonal sheet-based ZnO polymorphs inspired by enumeration of their characteristic underlying nets. Evaluating the bulk and nanofilm stabilities of these structures with ab initio calculations allows for an unprecedented overview of (nano)polymorphism in wurtzite materials. We find a rich low energy nanofilm polymorphism with a totally distinct stability ordering to that in the bulk. From this general basis we provide new insights into structural transitions observed during epitaxial growth and predictions for nanofilm stability with varying strain or thickness.American Physical Society2019201920132019info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion5 p.application/pdfhttps://hdl.handle.net/2445/133319Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció del document publicat a: https://doi.org/10.1103/PhysRevLett.110.245501Physical Review Letters, 2013, vol. 110, num. 24, p. 245501https://doi.org/10.1103/PhysRevLett.110.245501(c) American Physical Society, 2013info:eu-repo/semantics/openAccessoai:recercat.cat:2445/1333192026-05-29T05:05:01Z
dc.title.none.fl_str_mv Nanofilm versus Bulk Polymorphism in Wurtzite Materials
title Nanofilm versus Bulk Polymorphism in Wurtzite Materials
spellingShingle Nanofilm versus Bulk Polymorphism in Wurtzite Materials
Demiroglu, Ilker
Biofísica
Nanociència
Biophysics
Nanoscience
title_short Nanofilm versus Bulk Polymorphism in Wurtzite Materials
title_full Nanofilm versus Bulk Polymorphism in Wurtzite Materials
title_fullStr Nanofilm versus Bulk Polymorphism in Wurtzite Materials
title_full_unstemmed Nanofilm versus Bulk Polymorphism in Wurtzite Materials
title_sort Nanofilm versus Bulk Polymorphism in Wurtzite Materials
dc.creator.none.fl_str_mv Demiroglu, Ilker
Bromley, Stefan Thomas
author Demiroglu, Ilker
author_facet Demiroglu, Ilker
Bromley, Stefan Thomas
author_role author
author2 Bromley, Stefan Thomas
author2_role author
dc.subject.none.fl_str_mv Biofísica
Nanociència
Biophysics
Nanoscience
topic Biofísica
Nanociència
Biophysics
Nanoscience
description We generate a wide range of hexagonal sheet-based ZnO polymorphs inspired by enumeration of their characteristic underlying nets. Evaluating the bulk and nanofilm stabilities of these structures with ab initio calculations allows for an unprecedented overview of (nano)polymorphism in wurtzite materials. We find a rich low energy nanofilm polymorphism with a totally distinct stability ordering to that in the bulk. From this general basis we provide new insights into structural transitions observed during epitaxial growth and predictions for nanofilm stability with varying strain or thickness.
publishDate 2013
dc.date.none.fl_str_mv 2013
2019
2019
2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/133319
url https://hdl.handle.net/2445/133319
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1103/PhysRevLett.110.245501
Physical Review Letters, 2013, vol. 110, num. 24, p. 245501
https://doi.org/10.1103/PhysRevLett.110.245501
dc.rights.none.fl_str_mv (c) American Physical Society, 2013
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Physical Society, 2013
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 5 p.
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 Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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