Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material

We report experimental and theoretical results of crystal structure, morphology, magnetic and electric features, and electronic structure for the Sr2DyNbO6 ceramic compound. Samples were produced by the solid-state reaction recipe. X-ray diffraction experiments show that the material crystallizes in...

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Autores:
Cardona, Ramiro
Landínez Téllez, David A.
Roa-Rojas, Jairo
Tipo de recurso:
Article of journal
Fecha de publicación:
2017
Institución:
Universidad Nacional de Colombia
Repositorio:
Universidad Nacional de Colombia
Idioma:
spa
OAI Identifier:
oai:repositorio.unal.edu.co:unal/60386
Acceso en línea:
https://repositorio.unal.edu.co/handle/unal/60386
http://bdigital.unal.edu.co/58718/
Palabra clave:
62 Ingeniería y operaciones afines / Engineering
Complex perovskite
magnetic properties
electronic structure
Perovskita compleja
propiedades magnéticas
estructura electrónica
Rights
openAccess
License
Atribución-NoComercial 4.0 Internacional
id UNACIONAL2_4330fb96bbe32d23a4ec5fa5447d6295
oai_identifier_str oai:repositorio.unal.edu.co:unal/60386
network_acronym_str UNACIONAL2
network_name_str Universidad Nacional de Colombia
repository_id_str
dc.title.spa.fl_str_mv Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
title Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
spellingShingle Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
62 Ingeniería y operaciones afines / Engineering
Complex perovskite
magnetic properties
electronic structure
Perovskita compleja
propiedades magnéticas
estructura electrónica
title_short Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
title_full Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
title_fullStr Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
title_full_unstemmed Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
title_sort Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material
dc.creator.fl_str_mv Cardona, Ramiro
Landínez Téllez, David A.
Roa-Rojas, Jairo
dc.contributor.author.spa.fl_str_mv Cardona, Ramiro
Landínez Téllez, David A.
Roa-Rojas, Jairo
dc.subject.ddc.spa.fl_str_mv 62 Ingeniería y operaciones afines / Engineering
topic 62 Ingeniería y operaciones afines / Engineering
Complex perovskite
magnetic properties
electronic structure
Perovskita compleja
propiedades magnéticas
estructura electrónica
dc.subject.proposal.spa.fl_str_mv Complex perovskite
magnetic properties
electronic structure
Perovskita compleja
propiedades magnéticas
estructura electrónica
description We report experimental and theoretical results of crystal structure, morphology, magnetic and electric features, and electronic structure for the Sr2DyNbO6 ceramic compound. Samples were produced by the solid-state reaction recipe. X-ray diffraction experiments show that the material crystallizes in a monoclinic structure, P21/n space group. SEM images exhibit a granular submicrometric surface. Temperature curves of magnetic susceptibility reveal a paramagnetic response. Curie law fitting permitted to obtain a magnetic moment 10.28 μB. Polarization as a function of electric fields shows a hysteretic feature with 264.28 relative dielectric constant at 300 K. DFT calculations of electronic structure suggest the semiconductor character of this material, energy gap 3.21 eV for the spin-up polarization and 0.26 eV for spin-down. The calculated effective magnetic moment was 10.0 μB, which is strongly in accordance with the measured value. The theoretical cell parameters obtained from the Murnaghan state-equation are 98.5% in agreement with the experimental result.
publishDate 2017
dc.date.issued.spa.fl_str_mv 2017-04-01
dc.date.accessioned.spa.fl_str_mv 2019-07-02T18:11:58Z
dc.date.available.spa.fl_str_mv 2019-07-02T18:11:58Z
dc.type.spa.fl_str_mv Artículo de revista
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dc.type.content.spa.fl_str_mv Text
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dc.identifier.issn.spa.fl_str_mv ISSN: 2346-2183
dc.identifier.uri.none.fl_str_mv https://repositorio.unal.edu.co/handle/unal/60386
dc.identifier.eprints.spa.fl_str_mv http://bdigital.unal.edu.co/58718/
identifier_str_mv ISSN: 2346-2183
url https://repositorio.unal.edu.co/handle/unal/60386
http://bdigital.unal.edu.co/58718/
dc.language.iso.spa.fl_str_mv spa
language spa
dc.relation.spa.fl_str_mv https://revistas.unal.edu.co/index.php/dyna/article/view/55710
dc.relation.ispartof.spa.fl_str_mv Universidad Nacional de Colombia Revistas electrónicas UN Dyna
Dyna
dc.relation.references.spa.fl_str_mv Cardona, Ramiro and Landínez Téllez, David A. and Roa-Rojas, Jairo (2017) Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material. DYNA, 84 (201). pp. 88-94. ISSN 2346-2183
dc.rights.spa.fl_str_mv Derechos reservados - Universidad Nacional de Colombia
dc.rights.coar.fl_str_mv http://purl.org/coar/access_right/c_abf2
dc.rights.license.spa.fl_str_mv Atribución-NoComercial 4.0 Internacional
dc.rights.uri.spa.fl_str_mv http://creativecommons.org/licenses/by-nc/4.0/
dc.rights.accessrights.spa.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv Atribución-NoComercial 4.0 Internacional
Derechos reservados - Universidad Nacional de Colombia
http://creativecommons.org/licenses/by-nc/4.0/
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.mimetype.spa.fl_str_mv application/pdf
dc.publisher.spa.fl_str_mv Universidad Nacional de Colombia (Sede Medellín). Facultad de Minas.
institution Universidad Nacional de Colombia
bitstream.url.fl_str_mv https://repositorio.unal.edu.co/bitstream/unal/60386/1/55710-330583-1-PB.pdf
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repository.name.fl_str_mv Repositorio Institucional Universidad Nacional de Colombia
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spelling Atribución-NoComercial 4.0 InternacionalDerechos reservados - Universidad Nacional de Colombiahttp://creativecommons.org/licenses/by-nc/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Cardona, Ramiro8434d297-d201-4ad6-a356-0c964b34c876300Landínez Téllez, David A.411b3606-d660-43c3-a370-0036cb11c7da300Roa-Rojas, Jairo2150cdd5-f02c-416b-9935-2fa7a3956e7b3002019-07-02T18:11:58Z2019-07-02T18:11:58Z2017-04-01ISSN: 2346-2183https://repositorio.unal.edu.co/handle/unal/60386http://bdigital.unal.edu.co/58718/We report experimental and theoretical results of crystal structure, morphology, magnetic and electric features, and electronic structure for the Sr2DyNbO6 ceramic compound. Samples were produced by the solid-state reaction recipe. X-ray diffraction experiments show that the material crystallizes in a monoclinic structure, P21/n space group. SEM images exhibit a granular submicrometric surface. Temperature curves of magnetic susceptibility reveal a paramagnetic response. Curie law fitting permitted to obtain a magnetic moment 10.28 μB. Polarization as a function of electric fields shows a hysteretic feature with 264.28 relative dielectric constant at 300 K. DFT calculations of electronic structure suggest the semiconductor character of this material, energy gap 3.21 eV for the spin-up polarization and 0.26 eV for spin-down. The calculated effective magnetic moment was 10.0 μB, which is strongly in accordance with the measured value. The theoretical cell parameters obtained from the Murnaghan state-equation are 98.5% in agreement with the experimental result.Se reportan resultados experimentales y teóricos de estructura cristalina, morfología, carácter magnético y eléctrico, y estructura electrónica para el material cerámico Sr2DyNbO6. Las muestras fueron producidas mediante reacción sólida. Resultados de difracción de rayos X muestran que el material cristaliza en una estructura monoclínica, grupo espacial P21/n. Imágenes de MEB muestran superficies granulares submicrométricas. La susceptibilidad en función de la temperatura revela una respuesta paramagnética con momento magnético 10.28μB. La histéresis de polarización en función del campo eléctrico a 300K permitió obtener una constante dieléctrica de 264.28. Cálculos de estructura electrónica por DFT sugieren que el material es semiconductor con brecha de energía 3.21 eV para la orientación espín arriba y 0.26 eV para espín abajo. El momento magnético calculado es 10.0μB, muy próximo del valor medido. Los parámetros de red obtenidos mediante la ecuación de Murnaghan están de acuerdo con los resultados experimentales en un 98.5%.application/pdfspaUniversidad Nacional de Colombia (Sede Medellín). Facultad de Minas.https://revistas.unal.edu.co/index.php/dyna/article/view/55710Universidad Nacional de Colombia Revistas electrónicas UN DynaDynaCardona, Ramiro and Landínez Téllez, David A. and Roa-Rojas, Jairo (2017) Theoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 material. DYNA, 84 (201). pp. 88-94. ISSN 2346-218362 Ingeniería y operaciones afines / EngineeringComplex perovskitemagnetic propertieselectronic structurePerovskita complejapropiedades magnéticasestructura electrónicaTheoretical and experimental study of the electronic, crystalline, morphologic, compositional, magnetic and dielectric properties of the Sr2DyNbO6 materialArtículo de revistainfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85Texthttp://purl.org/redcol/resource_type/ARTORIGINAL55710-330583-1-PB.pdfapplication/pdf864190https://repositorio.unal.edu.co/bitstream/unal/60386/1/55710-330583-1-PB.pdf45a3040d804120b860d6d36dc39aac2fMD51THUMBNAIL55710-330583-1-PB.pdf.jpg55710-330583-1-PB.pdf.jpgGenerated Thumbnailimage/jpeg9511https://repositorio.unal.edu.co/bitstream/unal/60386/2/55710-330583-1-PB.pdf.jpg31911deaca7b60921a24cffbf1235cb7MD52unal/60386oai:repositorio.unal.edu.co:unal/603862024-04-13 23:10:23.207Repositorio Institucional Universidad Nacional de Colombiarepositorio_nal@unal.edu.co