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First-principles study of interface doping in ferroelectric junctions

Effect of atomic monolayer insertion on the performance of ferroelectric tunneling junction is investigated in SrRuO(3)/BaTiO(3)/SrRuO(3) heterostrucutures. Based on first-principles calculations, the atomic displacement, orbital occupancy, and ferroelectric polarization are studied. It is found tha...

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Autores principales: Wang, Pin-Zhi, Cai, Tian-Yi, Ju, Sheng, Wu, Yin-Zhong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4827089/
https://www.ncbi.nlm.nih.gov/pubmed/27063704
http://dx.doi.org/10.1038/srep24209
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author Wang, Pin-Zhi
Cai, Tian-Yi
Ju, Sheng
Wu, Yin-Zhong
author_facet Wang, Pin-Zhi
Cai, Tian-Yi
Ju, Sheng
Wu, Yin-Zhong
author_sort Wang, Pin-Zhi
collection PubMed
description Effect of atomic monolayer insertion on the performance of ferroelectric tunneling junction is investigated in SrRuO(3)/BaTiO(3)/SrRuO(3) heterostrucutures. Based on first-principles calculations, the atomic displacement, orbital occupancy, and ferroelectric polarization are studied. It is found that the ferroelectricity is enhanced when a (AlO(2))(−) monolayer is inserted between the electrode SRO and the barrier BTO, where the relatively high mobility of doped holes effectively screen ferroelectric polarization. On the other hand, for the case of (LaO)(+) inserted layer, the doped electrons resides at the both sides of middle ferroelectric barrier, making the ferroelectricity unfavorable. Our findings provide an alternative avenue to improve the performance of ferroelectric tunneling junctions.
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spelling pubmed-48270892016-04-19 First-principles study of interface doping in ferroelectric junctions Wang, Pin-Zhi Cai, Tian-Yi Ju, Sheng Wu, Yin-Zhong Sci Rep Article Effect of atomic monolayer insertion on the performance of ferroelectric tunneling junction is investigated in SrRuO(3)/BaTiO(3)/SrRuO(3) heterostrucutures. Based on first-principles calculations, the atomic displacement, orbital occupancy, and ferroelectric polarization are studied. It is found that the ferroelectricity is enhanced when a (AlO(2))(−) monolayer is inserted between the electrode SRO and the barrier BTO, where the relatively high mobility of doped holes effectively screen ferroelectric polarization. On the other hand, for the case of (LaO)(+) inserted layer, the doped electrons resides at the both sides of middle ferroelectric barrier, making the ferroelectricity unfavorable. Our findings provide an alternative avenue to improve the performance of ferroelectric tunneling junctions. Nature Publishing Group 2016-04-11 /pmc/articles/PMC4827089/ /pubmed/27063704 http://dx.doi.org/10.1038/srep24209 Text en Copyright © 2016, Macmillan Publishers Limited 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
Wang, Pin-Zhi
Cai, Tian-Yi
Ju, Sheng
Wu, Yin-Zhong
First-principles study of interface doping in ferroelectric junctions
title First-principles study of interface doping in ferroelectric junctions
title_full First-principles study of interface doping in ferroelectric junctions
title_fullStr First-principles study of interface doping in ferroelectric junctions
title_full_unstemmed First-principles study of interface doping in ferroelectric junctions
title_short First-principles study of interface doping in ferroelectric junctions
title_sort first-principles study of interface doping in ferroelectric junctions
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4827089/
https://www.ncbi.nlm.nih.gov/pubmed/27063704
http://dx.doi.org/10.1038/srep24209
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