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Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation

Crystal and electronic structures of ~380 nm BiFeO(3) film grown on LaAlO(3) substrate are comprehensively studied using advanced transmission electron microscopy (TEM) technique combined with first-principles theory. Cross-sectional TEM images reveal the BiFeO(3) film consists of two zones with dif...

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Autores principales: Bae, In-Tae, Kovács, András, Zhao, Hong Jian, Íñiguez, Jorge, Yasui, Shintaro, Ichinose, Tomohiro, Naganuma, Hiroshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5395957/
https://www.ncbi.nlm.nih.gov/pubmed/28422150
http://dx.doi.org/10.1038/srep46498
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author Bae, In-Tae
Kovács, András
Zhao, Hong Jian
Íñiguez, Jorge
Yasui, Shintaro
Ichinose, Tomohiro
Naganuma, Hiroshi
author_facet Bae, In-Tae
Kovács, András
Zhao, Hong Jian
Íñiguez, Jorge
Yasui, Shintaro
Ichinose, Tomohiro
Naganuma, Hiroshi
author_sort Bae, In-Tae
collection PubMed
description Crystal and electronic structures of ~380 nm BiFeO(3) film grown on LaAlO(3) substrate are comprehensively studied using advanced transmission electron microscopy (TEM) technique combined with first-principles theory. Cross-sectional TEM images reveal the BiFeO(3) film consists of two zones with different crystal structures. While zone II turns out to have rhombohedral BiFeO(3), the crystal structure of zone I matches none of BiFeO(3) phases reported experimentally or predicted theoretically. Detailed electron diffraction analysis combined with first-principles calculation allows us to determine that zone I displays an orthorhombic-like monoclinic structure with space group of Cm (=8). The growth mechanism and electronic structure in zone I are further discussed in comparison with those of zone II. This study is the first to provide an experimentally validated complete crystallographic detail of a highly strained BiFeO(3) that includes the lattice parameter as well as the basis atom locations in the unit cell.
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spelling pubmed-53959572017-04-21 Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation Bae, In-Tae Kovács, András Zhao, Hong Jian Íñiguez, Jorge Yasui, Shintaro Ichinose, Tomohiro Naganuma, Hiroshi Sci Rep Article Crystal and electronic structures of ~380 nm BiFeO(3) film grown on LaAlO(3) substrate are comprehensively studied using advanced transmission electron microscopy (TEM) technique combined with first-principles theory. Cross-sectional TEM images reveal the BiFeO(3) film consists of two zones with different crystal structures. While zone II turns out to have rhombohedral BiFeO(3), the crystal structure of zone I matches none of BiFeO(3) phases reported experimentally or predicted theoretically. Detailed electron diffraction analysis combined with first-principles calculation allows us to determine that zone I displays an orthorhombic-like monoclinic structure with space group of Cm (=8). The growth mechanism and electronic structure in zone I are further discussed in comparison with those of zone II. This study is the first to provide an experimentally validated complete crystallographic detail of a highly strained BiFeO(3) that includes the lattice parameter as well as the basis atom locations in the unit cell. Nature Publishing Group 2017-04-19 /pmc/articles/PMC5395957/ /pubmed/28422150 http://dx.doi.org/10.1038/srep46498 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Bae, In-Tae
Kovács, András
Zhao, Hong Jian
Íñiguez, Jorge
Yasui, Shintaro
Ichinose, Tomohiro
Naganuma, Hiroshi
Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation
title Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation
title_full Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation
title_fullStr Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation
title_full_unstemmed Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation
title_short Elucidation of crystal and electronic structures within highly strained BiFeO(3) by transmission electron microscopy and first-principles simulation
title_sort elucidation of crystal and electronic structures within highly strained bifeo(3) by transmission electron microscopy and first-principles simulation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5395957/
https://www.ncbi.nlm.nih.gov/pubmed/28422150
http://dx.doi.org/10.1038/srep46498
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