Journal Article

FZJ-2015-04515

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structural effect of aliovalent Doping in lead perovskites

Tolman, K. R. (Corresponding Author) ; Ubic, R. ; Papac, M. ; Seymour, K. C. ; McCormack, S. J. ; Kriven, W. M. ; Kungl, H.FZJ*

2015
Academic Press Orlando, Fla.

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Please use a persistent id in citations: doi:10.1016/j.jssc.2014.12.024

Abstract: Composition–structure relationships are needed for various applications, including lattice-matching for heteroepitaxy; however, a general model to predict lattice constants in defective perovskites is not yet available because the exact nature of A-site vacancies in perovskites remains largely unknown. In this study, it has been shown experimentally via Le Bail refinements of x-ray diffraction data that such vacancies in (Pb1−3xLa2x□x)TiO3 and (Pb1−3xLa2x□x)(Zr0.6Ti0.4)O3 have an effective size due to both Coulombic repulsion of coordinating oxygen ions and bond relaxation. For the first time, cell volume can be predicted in this system from stoichiometry and published ionic radii data alone to within 0.2% accuracy within View the MathML source0≤x≤13 compositional range and <0.3% accuracy all the way to View the MathML sourcex=13. The model may be applied to other perovskite systems and eventually provide tailored properties (magnetic, dielectric, and other) based on improved structure predictions.

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Contributing Institute(s):

1. Grundlagen der Elektrochemie (IEK-9)

Research Program(s):

1. 131 - Electrochemical Storage (POF3-131) (POF3-131)

Appears in the scientific report 2015

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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