Cargando…
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...
Autores principales: | , , , , , , |
---|---|
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 |
_version_ | 1783229978359365632 |
---|---|
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. |
format | Online Article Text |
id | pubmed-5395957 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT baeintae elucidationofcrystalandelectronicstructureswithinhighlystrainedbifeo3bytransmissionelectronmicroscopyandfirstprinciplessimulation AT kovacsandras elucidationofcrystalandelectronicstructureswithinhighlystrainedbifeo3bytransmissionelectronmicroscopyandfirstprinciplessimulation AT zhaohongjian elucidationofcrystalandelectronicstructureswithinhighlystrainedbifeo3bytransmissionelectronmicroscopyandfirstprinciplessimulation AT iniguezjorge elucidationofcrystalandelectronicstructureswithinhighlystrainedbifeo3bytransmissionelectronmicroscopyandfirstprinciplessimulation AT yasuishintaro elucidationofcrystalandelectronicstructureswithinhighlystrainedbifeo3bytransmissionelectronmicroscopyandfirstprinciplessimulation AT ichinosetomohiro elucidationofcrystalandelectronicstructureswithinhighlystrainedbifeo3bytransmissionelectronmicroscopyandfirstprinciplessimulation AT naganumahiroshi elucidationofcrystalandelectronicstructureswithinhighlystrainedbifeo3bytransmissionelectronmicroscopyandfirstprinciplessimulation |