Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ

Autores
Muhammad, Raz; Ali, Asif; Camargo, Javier Eduardo; Castro, Miriam Susana; Han, Dandan
Año de publicación
2024
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The defect chemistry of the amphoteric Ca2+ dopant in BaTiO3 is a controversial issue, particularlyregarding its site occupancy, solubility limit, and impact on material properties due to the chargecompensation mechanism involved. In the present research work, the effect of intentionallyproduced Ti4+ vacancies was investigated on the structure and properties of Ba0.8Ca0.2Ti1-xO3- (x= 0.005, 0.01, 0.03, 0.05). A phase transition from ferro- to para-electric phase was observed withan increase in x. Raman spectroscopy revealed that Ca2+ also occupies the BO6 octahedron bymoving from A- to B-site. However, still oxygen vacancies (VO∙∙exist due to lower oxidation of Ca2+ han Ti4+ supported by electron paramagnetic spectroscopy which revealed a signal at 2.004, associated with Ti deficiency, producing VO ∙∙ The grain growth was also inhibited (decreased from11.4 m to 1.36 m) by the generation of vacancies which decreased the value of r from 8085 to 1405 at Tc. These defects were also evident from the P-E loops which exhibited double hysteresis- like behavior, associated with defects in the material. The formation of VO ∙∙ also greatly affected the optical band gap due to an increase in distortion in the structure. The band gap increased from 2.64 to 2.74 eV with an increase in x from 0.005 to 0.03. It was found that Ca2+ plays a vital role by shifting to B-site to reduce Ti-vacancies which affected the structure and properties of the Ba0.8Ca0.2TiO3. The sample with the highest symmetry (x = 0.05) shows a slim double hysteresis loop and a remnant polarization of 0.85 μC/cm2 at 50 kV/cm, which indicates its potential for use in high energy density applications.
Fil: Muhammad, Raz. Abdul Wali Khan University Mardan; Pakistán
Fil: Ali, Asif. Abdul Wali Khan University Mardan; Pakistán
Fil: Camargo, Javier Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Castro, Miriam Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Han, Dandan. Jilin Institute Of Chemical Technology; China
Materia
ceramics
piezoelectric
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:11336/257529
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/257529
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δMuhammad, RazAli, AsifCamargo, Javier EduardoCastro, Miriam SusanaHan, Dandanceramicspiezoelectrichttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2The defect chemistry of the amphoteric Ca2+ dopant in BaTiO3 is a controversial issue, particularlyregarding its site occupancy, solubility limit, and impact on material properties due to the chargecompensation mechanism involved. In the present research work, the effect of intentionallyproduced Ti4+ vacancies was investigated on the structure and properties of Ba0.8Ca0.2Ti1-xO3- (x= 0.005, 0.01, 0.03, 0.05). A phase transition from ferro- to para-electric phase was observed withan increase in x. Raman spectroscopy revealed that Ca2+ also occupies the BO6 octahedron bymoving from A- to B-site. However, still oxygen vacancies (VO∙∙exist due to lower oxidation of Ca2+ han Ti4+ supported by electron paramagnetic spectroscopy which revealed a signal at 2.004, associated with Ti deficiency, producing VO ∙∙ The grain growth was also inhibited (decreased from11.4 m to 1.36 m) by the generation of vacancies which decreased the value of r from 8085 to 1405 at Tc. These defects were also evident from the P-E loops which exhibited double hysteresis- like behavior, associated with defects in the material. The formation of VO ∙∙ also greatly affected the optical band gap due to an increase in distortion in the structure. The band gap increased from 2.64 to 2.74 eV with an increase in x from 0.005 to 0.03. It was found that Ca2+ plays a vital role by shifting to B-site to reduce Ti-vacancies which affected the structure and properties of the Ba0.8Ca0.2TiO3. The sample with the highest symmetry (x = 0.05) shows a slim double hysteresis loop and a remnant polarization of 0.85 μC/cm2 at 50 kV/cm, which indicates its potential for use in high energy density applications.Fil: Muhammad, Raz. Abdul Wali Khan University Mardan; PakistánFil: Ali, Asif. Abdul Wali Khan University Mardan; PakistánFil: Camargo, Javier Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaFil: Castro, Miriam Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaFil: Han, Dandan. Jilin Institute Of Chemical Technology; ChinaElsevier Science SA2024-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/257529Muhammad, Raz; Ali, Asif; Camargo, Javier Eduardo; Castro, Miriam Susana; Han, Dandan; Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ; Elsevier Science SA; Journal of Alloys and Compounds; 1010; 12-2024; 1-230925-8388CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0925838824047030info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jallcom.2024.178115info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:27:20Zoai:ri.conicet.gov.ar:11336/257529instacron: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:34982025-09-29 10:27:21.012CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
title Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
spellingShingle Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
Muhammad, Raz
ceramics
piezoelectric
title_short Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
title_full Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
title_fullStr Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
title_full_unstemmed Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
title_sort Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ
dc.creator.none.fl_str_mv Muhammad, Raz
Ali, Asif
Camargo, Javier Eduardo
Castro, Miriam Susana
Han, Dandan
author Muhammad, Raz
author_facet Muhammad, Raz
Ali, Asif
Camargo, Javier Eduardo
Castro, Miriam Susana
Han, Dandan
author_role author
author2 Ali, Asif
Camargo, Javier Eduardo
Castro, Miriam Susana
Han, Dandan
author2_role author
author
author
author
dc.subject.none.fl_str_mv ceramics
piezoelectric
topic ceramics
piezoelectric
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv The defect chemistry of the amphoteric Ca2+ dopant in BaTiO3 is a controversial issue, particularlyregarding its site occupancy, solubility limit, and impact on material properties due to the chargecompensation mechanism involved. In the present research work, the effect of intentionallyproduced Ti4+ vacancies was investigated on the structure and properties of Ba0.8Ca0.2Ti1-xO3- (x= 0.005, 0.01, 0.03, 0.05). A phase transition from ferro- to para-electric phase was observed withan increase in x. Raman spectroscopy revealed that Ca2+ also occupies the BO6 octahedron bymoving from A- to B-site. However, still oxygen vacancies (VO∙∙exist due to lower oxidation of Ca2+ han Ti4+ supported by electron paramagnetic spectroscopy which revealed a signal at 2.004, associated with Ti deficiency, producing VO ∙∙ The grain growth was also inhibited (decreased from11.4 m to 1.36 m) by the generation of vacancies which decreased the value of r from 8085 to 1405 at Tc. These defects were also evident from the P-E loops which exhibited double hysteresis- like behavior, associated with defects in the material. The formation of VO ∙∙ also greatly affected the optical band gap due to an increase in distortion in the structure. The band gap increased from 2.64 to 2.74 eV with an increase in x from 0.005 to 0.03. It was found that Ca2+ plays a vital role by shifting to B-site to reduce Ti-vacancies which affected the structure and properties of the Ba0.8Ca0.2TiO3. The sample with the highest symmetry (x = 0.05) shows a slim double hysteresis loop and a remnant polarization of 0.85 μC/cm2 at 50 kV/cm, which indicates its potential for use in high energy density applications.
Fil: Muhammad, Raz. Abdul Wali Khan University Mardan; Pakistán
Fil: Ali, Asif. Abdul Wali Khan University Mardan; Pakistán
Fil: Camargo, Javier Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Castro, Miriam Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Fil: Han, Dandan. Jilin Institute Of Chemical Technology; China
description The defect chemistry of the amphoteric Ca2+ dopant in BaTiO3 is a controversial issue, particularlyregarding its site occupancy, solubility limit, and impact on material properties due to the chargecompensation mechanism involved. In the present research work, the effect of intentionallyproduced Ti4+ vacancies was investigated on the structure and properties of Ba0.8Ca0.2Ti1-xO3- (x= 0.005, 0.01, 0.03, 0.05). A phase transition from ferro- to para-electric phase was observed withan increase in x. Raman spectroscopy revealed that Ca2+ also occupies the BO6 octahedron bymoving from A- to B-site. However, still oxygen vacancies (VO∙∙exist due to lower oxidation of Ca2+ han Ti4+ supported by electron paramagnetic spectroscopy which revealed a signal at 2.004, associated with Ti deficiency, producing VO ∙∙ The grain growth was also inhibited (decreased from11.4 m to 1.36 m) by the generation of vacancies which decreased the value of r from 8085 to 1405 at Tc. These defects were also evident from the P-E loops which exhibited double hysteresis- like behavior, associated with defects in the material. The formation of VO ∙∙ also greatly affected the optical band gap due to an increase in distortion in the structure. The band gap increased from 2.64 to 2.74 eV with an increase in x from 0.005 to 0.03. It was found that Ca2+ plays a vital role by shifting to B-site to reduce Ti-vacancies which affected the structure and properties of the Ba0.8Ca0.2TiO3. The sample with the highest symmetry (x = 0.05) shows a slim double hysteresis loop and a remnant polarization of 0.85 μC/cm2 at 50 kV/cm, which indicates its potential for use in high energy density applications.
publishDate 2024
dc.date.none.fl_str_mv 2024-12
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/11336/257529
Muhammad, Raz; Ali, Asif; Camargo, Javier Eduardo; Castro, Miriam Susana; Han, Dandan; Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ; Elsevier Science SA; Journal of Alloys and Compounds; 1010; 12-2024; 1-23
0925-8388
CONICET Digital
CONICET
url http://hdl.handle.net/11336/257529
identifier_str_mv Muhammad, Raz; Ali, Asif; Camargo, Javier Eduardo; Castro, Miriam Susana; Han, Dandan; Influence of Ti-vacancies on the site occupancy of amphoteric calcium, oxygen vacancies, dielectric, optical, and ferroelectric behavior of Ba0.8Ca0.2Ti1-O3-δ; Elsevier Science SA; Journal of Alloys and Compounds; 1010; 12-2024; 1-23
0925-8388
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0925838824047030
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jallcom.2024.178115
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
application/pdf
application/pdf
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application/pdf
dc.publisher.none.fl_str_mv Elsevier Science SA
publisher.none.fl_str_mv Elsevier Science SA
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 13.070432

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