Structural and electronic effects of an Nb impurity in PZT crystals
Structural and electronic properties of technologically important lead-zirconate-titanate (PZT) crystals produced by Nb-doping are reported. The results are obtained using semi-empirical quantum-chemical simulations applied to a tetragonal PbZr0.53Ti0.47O3 monocrystal, i.e. the morphotropic phase bo...
Na minha lista:
| Autor principal: | |
|---|---|
| Outros Autores: | , |
| Formato: | article |
| Publicado em: |
2007
|
| Assuntos: | |
| Acesso em linha: | http://dspace.utpl.edu.ec/handle/123456789/19279 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|
Adicionar Tag | _version_ | 1863437815716511744 |
|---|---|
| author | Serrano, S. |
| author2 | Stashans, A. Celi, L. |
| author2_role | author author |
| author_facet | Serrano, S. Stashans, A. Celi, L. |
| author_role | author |
| collection | Repositorio Universidad Técnica Particular de Loja |
| dc.creator.none.fl_str_mv | Serrano, S. Stashans, A. Celi, L. |
| dc.date.none.fl_str_mv | 2007-03-14 2007-08-21 2017-06-16T22:03:17Z 2017-06-16T22:03:17Z 21/08/2007 |
| dc.identifier.none.fl_str_mv | 10.1080/14786430701344566 14786435 10.1080/14786430701344566 http://dspace.utpl.edu.ec/handle/123456789/19279 |
| dc.language.none.fl_str_mv | Inglés |
| dc.publisher.none.fl_str_mv | Philosophical Magazine |
| dc.rights.none.fl_str_mv | info:eu-repo/semantics/openAccess |
| dc.source.none.fl_str_mv | reponame:Repositorio Universidad Técnica Particular de Loja instname:Universidad Técnica Particular de Loja instacron:UTPL |
| dc.subject.none.fl_str_mv | pzt nb dopant structure electronic properties |
| dc.title.none.fl_str_mv | Structural and electronic effects of an Nb impurity in PZT crystals |
| dc.type.none.fl_str_mv | info:eu-repo/semantics/publishedVersion info:eu-repo/semantics/article |
| description | Structural and electronic properties of technologically important lead-zirconate-titanate (PZT) crystals produced by Nb-doping are reported. The results are obtained using semi-empirical quantum-chemical simulations applied to a tetragonal PbZr0.53Ti0.47O3 monocrystal, i.e. the morphotropic phase boundary of the PZT. The proposed concentration of Nb impurity is 1.5%, which, according to some experimental data, gives better piezoelectric properties of the material at this concentration. Analysis of the displacements of atoms surrounding the defect, changes in atomic charges and electronic properties explaining the augmentation of electric conductivity are given in light of the available experimental data. The results suggest the occurrence of free electrons in the conduction band of the material. The former observation might explain the formation of conducting Jahn-Teller (JT) electron polarons previously found in the other titanates. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | UTPL_7a91877c3d04359f9c5c29b216d7ac7f |
| identifier_str_mv | 10.1080/14786430701344566 14786435 |
| instacron_str | UTPL |
| institution | UTPL |
| instname_str | Universidad Técnica Particular de Loja |
| language_invalid_str_mv | Inglés |
| network_acronym_str | UTPL |
| network_name_str | Repositorio Universidad Técnica Particular de Loja |
| oai_identifier_str | oai:dspace.utpl.edu.ec:123456789/19279 |
| publishDate | 2007 |
| publisher.none.fl_str_mv | Philosophical Magazine |
| reponame_str | Repositorio Universidad Técnica Particular de Loja |
| repository.mail.fl_str_mv | . |
| repository.name.fl_str_mv | Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Loja |
| repository_id_str | 1227 |
| spelling | Structural and electronic effects of an Nb impurity in PZT crystalsSerrano, S.Stashans, A.Celi, L.pztnb dopantstructureelectronic propertiesStructural and electronic properties of technologically important lead-zirconate-titanate (PZT) crystals produced by Nb-doping are reported. The results are obtained using semi-empirical quantum-chemical simulations applied to a tetragonal PbZr0.53Ti0.47O3 monocrystal, i.e. the morphotropic phase boundary of the PZT. The proposed concentration of Nb impurity is 1.5%, which, according to some experimental data, gives better piezoelectric properties of the material at this concentration. Analysis of the displacements of atoms surrounding the defect, changes in atomic charges and electronic properties explaining the augmentation of electric conductivity are given in light of the available experimental data. The results suggest the occurrence of free electrons in the conduction band of the material. The former observation might explain the formation of conducting Jahn-Teller (JT) electron polarons previously found in the other titanates.Philosophical Magazine2017-06-16T22:03:17Z2007-03-142017-06-16T22:03:17Z2007-08-2121/08/2007info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10.1080/147864307013445661478643510.1080/14786430701344566http://dspace.utpl.edu.ec/handle/123456789/19279Inglésinfo:eu-repo/semantics/openAccessreponame:Repositorio Universidad Técnica Particular de Lojainstname:Universidad Técnica Particular de Lojainstacron:UTPL2017-06-16T22:03:17Zoai:dspace.utpl.edu.ec:123456789/19279Institucionalhttps://dspace.utpl.edu.ec/Institución privadahttps://www.utpl.edu.ec/https://dspace.utpl.edu.ec/oai.Ecuador...opendoar:12272017-06-16T22:03:17Repositorio Universidad Técnica Particular de Loja - Universidad Técnica Particular de Lojafalse |
| spellingShingle | Structural and electronic effects of an Nb impurity in PZT crystals Serrano, S. pzt nb dopant structure electronic properties |
| status_str | publishedVersion |
| title | Structural and electronic effects of an Nb impurity in PZT crystals |
| title_full | Structural and electronic effects of an Nb impurity in PZT crystals |
| title_fullStr | Structural and electronic effects of an Nb impurity in PZT crystals |
| title_full_unstemmed | Structural and electronic effects of an Nb impurity in PZT crystals |
| title_short | Structural and electronic effects of an Nb impurity in PZT crystals |
| title_sort | Structural and electronic effects of an Nb impurity in PZT crystals |
| topic | pzt nb dopant structure electronic properties |
| url | http://dspace.utpl.edu.ec/handle/123456789/19279 |