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Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale

[Image: see text] In BiFeO(3) (BFO), Bi(2)O(3) (BO) is a known secondary phase, which can appear under certain growth conditions. However, BO is not just an unwanted parasitic phase but can be used to create the super-tetragonal BFO phase in films on substrates, which would otherwise grow in the reg...

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Autores principales: Haselmann, Ulrich, Radlinger, Thomas, Pei, Weijie, Popov, Maxim N., Spitaler, Tobias, Romaner, Lorenz, Ivanov, Yurii P., Chen, Jian, He, Yunbin, Kothleitner, Gerald, Zhang, Zaoli
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082603/
https://www.ncbi.nlm.nih.gov/pubmed/35558823
http://dx.doi.org/10.1021/acs.jpcc.2c00674
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author Haselmann, Ulrich
Radlinger, Thomas
Pei, Weijie
Popov, Maxim N.
Spitaler, Tobias
Romaner, Lorenz
Ivanov, Yurii P.
Chen, Jian
He, Yunbin
Kothleitner, Gerald
Zhang, Zaoli
author_facet Haselmann, Ulrich
Radlinger, Thomas
Pei, Weijie
Popov, Maxim N.
Spitaler, Tobias
Romaner, Lorenz
Ivanov, Yurii P.
Chen, Jian
He, Yunbin
Kothleitner, Gerald
Zhang, Zaoli
author_sort Haselmann, Ulrich
collection PubMed
description [Image: see text] In BiFeO(3) (BFO), Bi(2)O(3) (BO) is a known secondary phase, which can appear under certain growth conditions. However, BO is not just an unwanted parasitic phase but can be used to create the super-tetragonal BFO phase in films on substrates, which would otherwise grow in the regular rhombohedral phase (R-phase). The super-tetragonal BFO phase has the advantage of a much larger ferroelectric polarization of 130–150 μC/cm(2), which is around 1.5 times the value of the rhombohedral phase with 80–100 μC/cm(2). Here, we report that the solubility of Ca, which is a common dopant of bismuth ferrite materials to tune their properties, is significantly lower in the secondary BO phase than in the observed R-phase BFO. Starting from the film growth, this leads to completely different Ca concentrations in the two phases. We show this with advanced analytical transmission electron microscopy techniques and confirm the experimental results with density functional theory (DFT) calculations. At the film’s fabrication temperature, caused by different solubilities, about 50 times higher Ca concentration is expected in the BFO phase than in the secondary one. Depending on the cooling rate after fabrication, this can further increase since a larger Ca concentration difference is expected at lower temperatures. When fabricating functional devices using Ca doping and the secondary BO phase, the difference in solubility must be considered because, depending on the ratio of the BO phase, the Ca concentration in the BFO phase can become much higher than intended. This can be critical for the intended device functionality because the Ca concentration strongly influences and modifies the BFO properties.
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spelling pubmed-90826032022-05-10 Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale Haselmann, Ulrich Radlinger, Thomas Pei, Weijie Popov, Maxim N. Spitaler, Tobias Romaner, Lorenz Ivanov, Yurii P. Chen, Jian He, Yunbin Kothleitner, Gerald Zhang, Zaoli J Phys Chem C Nanomater Interfaces [Image: see text] In BiFeO(3) (BFO), Bi(2)O(3) (BO) is a known secondary phase, which can appear under certain growth conditions. However, BO is not just an unwanted parasitic phase but can be used to create the super-tetragonal BFO phase in films on substrates, which would otherwise grow in the regular rhombohedral phase (R-phase). The super-tetragonal BFO phase has the advantage of a much larger ferroelectric polarization of 130–150 μC/cm(2), which is around 1.5 times the value of the rhombohedral phase with 80–100 μC/cm(2). Here, we report that the solubility of Ca, which is a common dopant of bismuth ferrite materials to tune their properties, is significantly lower in the secondary BO phase than in the observed R-phase BFO. Starting from the film growth, this leads to completely different Ca concentrations in the two phases. We show this with advanced analytical transmission electron microscopy techniques and confirm the experimental results with density functional theory (DFT) calculations. At the film’s fabrication temperature, caused by different solubilities, about 50 times higher Ca concentration is expected in the BFO phase than in the secondary one. Depending on the cooling rate after fabrication, this can further increase since a larger Ca concentration difference is expected at lower temperatures. When fabricating functional devices using Ca doping and the secondary BO phase, the difference in solubility must be considered because, depending on the ratio of the BO phase, the Ca concentration in the BFO phase can become much higher than intended. This can be critical for the intended device functionality because the Ca concentration strongly influences and modifies the BFO properties. American Chemical Society 2022-04-21 2022-05-05 /pmc/articles/PMC9082603/ /pubmed/35558823 http://dx.doi.org/10.1021/acs.jpcc.2c00674 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Haselmann, Ulrich
Radlinger, Thomas
Pei, Weijie
Popov, Maxim N.
Spitaler, Tobias
Romaner, Lorenz
Ivanov, Yurii P.
Chen, Jian
He, Yunbin
Kothleitner, Gerald
Zhang, Zaoli
Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale
title Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale
title_full Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale
title_fullStr Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale
title_full_unstemmed Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale
title_short Ca Solubility in a BiFeO(3)-Based System with a Secondary Bi(2)O(3) Phase on a Nanoscale
title_sort ca solubility in a bifeo(3)-based system with a secondary bi(2)o(3) phase on a nanoscale
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082603/
https://www.ncbi.nlm.nih.gov/pubmed/35558823
http://dx.doi.org/10.1021/acs.jpcc.2c00674
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