Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates

Autores
Machado, Rodrigo; Sepliarsky, Marcelo Claudio; Stachiotti, Marcelo Gabriel
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
 A first-principles-based technique is used to investigate the electromechanical properties oflead-free alkaline niobates. In particular, we study the structural and piezoelectric properties of LixK1-x NbO3 which is taken as a prototypical solid solution. We show that the system develops an orthorhombic to tetragonal polymorphic phase transition at room temperature for a Li concentration of 4.5%. We showed that not only the phase coexistence region is relevant for the enhancement of the piezoelectric properties but also the off-center Li impurities play an important role in the improvement of the electromechanical response.
Fil: Machado, Rodrigo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina
Fil: Sepliarsky, Marcelo Claudio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina
Fil: Stachiotti, Marcelo Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina
Materia
Ferroelectrics
Piezoelectrics
Atomic level simulations
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/5963
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/5963
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobatesMachado, RodrigoSepliarsky, Marcelo ClaudioStachiotti, Marcelo GabrielFerroelectricsPiezoelectricsAtomic level simulationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1 A first-principles-based technique is used to investigate the electromechanical properties oflead-free alkaline niobates. In particular, we study the structural and piezoelectric properties of LixK1-x NbO3 which is taken as a prototypical solid solution. We show that the system develops an orthorhombic to tetragonal polymorphic phase transition at room temperature for a Li concentration of 4.5%. We showed that not only the phase coexistence region is relevant for the enhancement of the piezoelectric properties but also the off-center Li impurities play an important role in the improvement of the electromechanical response.Fil: Machado, Rodrigo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); ArgentinaFil: Sepliarsky, Marcelo Claudio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); ArgentinaFil: Stachiotti, Marcelo Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); ArgentinaAmerican Institute of Physics2013-12-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5963Machado, Rodrigo; Sepliarsky, Marcelo Claudio; Stachiotti, Marcelo Gabriel; Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates; American Institute of Physics; Applied Physics Letters; 103; 24; 9-12-2013; 242901-2429010003-6951enginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.4838115info:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/purl/http://scitation.aip.org/content/aip/journal/apl/103/24/10.1063/1.4838115info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:40:58Zoai:ri.conicet.gov.ar:11336/5963instacron: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:34982025-10-22 11:40:59.282CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
title Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
spellingShingle Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
Machado, Rodrigo
Ferroelectrics
Piezoelectrics
Atomic level simulations
title_short Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
title_full Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
title_fullStr Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
title_full_unstemmed Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
title_sort Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
dc.creator.none.fl_str_mv Machado, Rodrigo
Sepliarsky, Marcelo Claudio
Stachiotti, Marcelo Gabriel
author Machado, Rodrigo
author_facet Machado, Rodrigo
Sepliarsky, Marcelo Claudio
Stachiotti, Marcelo Gabriel
author_role author
author2 Sepliarsky, Marcelo Claudio
Stachiotti, Marcelo Gabriel
author2_role author
author
dc.subject.none.fl_str_mv Ferroelectrics
Piezoelectrics
Atomic level simulations
topic Ferroelectrics
Piezoelectrics
Atomic level simulations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv  A first-principles-based technique is used to investigate the electromechanical properties oflead-free alkaline niobates. In particular, we study the structural and piezoelectric properties of LixK1-x NbO3 which is taken as a prototypical solid solution. We show that the system develops an orthorhombic to tetragonal polymorphic phase transition at room temperature for a Li concentration of 4.5%. We showed that not only the phase coexistence region is relevant for the enhancement of the piezoelectric properties but also the off-center Li impurities play an important role in the improvement of the electromechanical response.
Fil: Machado, Rodrigo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina
Fil: Sepliarsky, Marcelo Claudio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina
Fil: Stachiotti, Marcelo Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina
description  A first-principles-based technique is used to investigate the electromechanical properties oflead-free alkaline niobates. In particular, we study the structural and piezoelectric properties of LixK1-x NbO3 which is taken as a prototypical solid solution. We show that the system develops an orthorhombic to tetragonal polymorphic phase transition at room temperature for a Li concentration of 4.5%. We showed that not only the phase coexistence region is relevant for the enhancement of the piezoelectric properties but also the off-center Li impurities play an important role in the improvement of the electromechanical response.
publishDate 2013
dc.date.none.fl_str_mv 2013-12-09
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/11336/5963
Machado, Rodrigo; Sepliarsky, Marcelo Claudio; Stachiotti, Marcelo Gabriel; Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates; American Institute of Physics; Applied Physics Letters; 103; 24; 9-12-2013; 242901-242901
0003-6951
url http://hdl.handle.net/11336/5963
identifier_str_mv Machado, Rodrigo; Sepliarsky, Marcelo Claudio; Stachiotti, Marcelo Gabriel; Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates; American Institute of Physics; Applied Physics Letters; 103; 24; 9-12-2013; 242901-242901
0003-6951
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4838115
info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/purl/http://scitation.aip.org/content/aip/journal/apl/103/24/10.1063/1.4838115
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 Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
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 12.982451

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