Charge distribution model in cubic perovskite-type compounds

A non-zero electric field gradient tensor, detected by probes that occupy sites with cubic point group symmetry, was observed in many ABO3 perovskite-type compounds. This breakdown of local cubic symmetry is commonly associated with the presence of oxygen vacancies around the probe. This effect in B...

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Autores principales: Alonso, Roberto Emilio, López García, Alberto Raúl
Formato: Articulo
Lenguaje:Inglés
Publicado: 2000
Materias:
Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/84887
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-84887
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
spellingShingle Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
Alonso, Roberto Emilio
López García, Alberto Raúl
Charge distribution model in cubic perovskite-type compounds
topic_facet Ciencias Exactas
Física
Defects
Electric Field Gardient
Ferroelectrics Materials
Perovskites
Polarized Oxygen Vacancies
description A non-zero electric field gradient tensor, detected by probes that occupy sites with cubic point group symmetry, was observed in many ABO3 perovskite-type compounds. This breakdown of local cubic symmetry is commonly associated with the presence of oxygen vacancies around the probe. This effect in BaTi<SUB>x</SUB>Hf<SUB>1-x</SUB>O<SUB>3</SUB> with x = 0.7, 0.5, 0.3, 0.1, 0.05 and 0.01 is studied in this work. The cell parameters were obtained at laboratory temperature using XRD spectroscopy. The hyperfine parameters were measured at a <SUP>181</SUP>Ta probe in the B site using Perturbed Angular Correlations (PAC) spectroscopy as a function of both temperature and composition. As a common trend, a static asymmetric and distributed quadrupolar interaction, strongly dependent on composition has been observed. The results, together with those corresponding to 1 > x ≥ 0.75, are analyzed using the point-charge model in terms of polarized oxygen vacancies, different covalence of the Ti-O and Hf-O bonds with computational simulation for the lattice positions of cations and oxygen vacancies.
format Articulo
Articulo
author Alonso, Roberto Emilio
López García, Alberto Raúl
author_facet Alonso, Roberto Emilio
López García, Alberto Raúl
author_sort Alonso, Roberto Emilio
title Charge distribution model in cubic perovskite-type compounds
title_short Charge distribution model in cubic perovskite-type compounds
title_full Charge distribution model in cubic perovskite-type compounds
title_fullStr Charge distribution model in cubic perovskite-type compounds
title_full_unstemmed Charge distribution model in cubic perovskite-type compounds
title_sort charge distribution model in cubic perovskite-type compounds
publishDate 2000
url http://sedici.unlp.edu.ar/handle/10915/84887
work_keys_str_mv AT alonsorobertoemilio chargedistributionmodelincubicperovskitetypecompounds
AT lopezgarciaalbertoraul chargedistributionmodelincubicperovskitetypecompounds
bdutipo_str Repositorios
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