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Coexisting commensurate and incommensurate charge ordered phases in CoO

The subtle interplay of strong electronic correlations in a distorted crystal lattice often leads to the evolution of novel emergent functionalities in the strongly correlated materials (SCM). Here, we unravel such unprecedented commensurate (COM) and incommensurate (ICOM) charge ordered (CO) phases...

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Autores principales: Negi, Devendra, Singh, Deobrat, Ahuja, Rajeev, van Aken, Peter A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8484683/
https://www.ncbi.nlm.nih.gov/pubmed/34593883
http://dx.doi.org/10.1038/s41598-021-98739-6
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author Negi, Devendra
Singh, Deobrat
Ahuja, Rajeev
van Aken, Peter A.
author_facet Negi, Devendra
Singh, Deobrat
Ahuja, Rajeev
van Aken, Peter A.
author_sort Negi, Devendra
collection PubMed
description The subtle interplay of strong electronic correlations in a distorted crystal lattice often leads to the evolution of novel emergent functionalities in the strongly correlated materials (SCM). Here, we unravel such unprecedented commensurate (COM) and incommensurate (ICOM) charge ordered (CO) phases at room temperature in a simple transition-metal mono-oxide, namely CoO. The electron diffraction pattern unveils a COM ([Formula: see text] =[Formula: see text] and ICOM ([Formula: see text] ) periodic lattice distortion. Transmission electron microscopy (TEM) captures unidirectional and bidirectional stripe patterns of charge density modulations. The widespread phase singularities in the phase-field of the order parameter (OP) affirms the abundant topological disorder. Using, density functional theory (DFT) calculations, we demystify the underlying electronic mechanism. The DFT study shows that a cation disordering ([Formula: see text] ) stabilizes Jahn-Teller (JT) distortion and localized aliovalent [Formula: see text] states in CoO. Therefore, the lattice distortion accompanied with mixed valence states ([Formula: see text] ) states introduces CO in CoO. Our findings offer an electronic paradigm to engineer CO to exploit the associated electronic functionalities in widely available transition-metal mono-oxides.
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spelling pubmed-84846832021-10-04 Coexisting commensurate and incommensurate charge ordered phases in CoO Negi, Devendra Singh, Deobrat Ahuja, Rajeev van Aken, Peter A. Sci Rep Article The subtle interplay of strong electronic correlations in a distorted crystal lattice often leads to the evolution of novel emergent functionalities in the strongly correlated materials (SCM). Here, we unravel such unprecedented commensurate (COM) and incommensurate (ICOM) charge ordered (CO) phases at room temperature in a simple transition-metal mono-oxide, namely CoO. The electron diffraction pattern unveils a COM ([Formula: see text] =[Formula: see text] and ICOM ([Formula: see text] ) periodic lattice distortion. Transmission electron microscopy (TEM) captures unidirectional and bidirectional stripe patterns of charge density modulations. The widespread phase singularities in the phase-field of the order parameter (OP) affirms the abundant topological disorder. Using, density functional theory (DFT) calculations, we demystify the underlying electronic mechanism. The DFT study shows that a cation disordering ([Formula: see text] ) stabilizes Jahn-Teller (JT) distortion and localized aliovalent [Formula: see text] states in CoO. Therefore, the lattice distortion accompanied with mixed valence states ([Formula: see text] ) states introduces CO in CoO. Our findings offer an electronic paradigm to engineer CO to exploit the associated electronic functionalities in widely available transition-metal mono-oxides. Nature Publishing Group UK 2021-09-30 /pmc/articles/PMC8484683/ /pubmed/34593883 http://dx.doi.org/10.1038/s41598-021-98739-6 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Negi, Devendra
Singh, Deobrat
Ahuja, Rajeev
van Aken, Peter A.
Coexisting commensurate and incommensurate charge ordered phases in CoO
title Coexisting commensurate and incommensurate charge ordered phases in CoO
title_full Coexisting commensurate and incommensurate charge ordered phases in CoO
title_fullStr Coexisting commensurate and incommensurate charge ordered phases in CoO
title_full_unstemmed Coexisting commensurate and incommensurate charge ordered phases in CoO
title_short Coexisting commensurate and incommensurate charge ordered phases in CoO
title_sort coexisting commensurate and incommensurate charge ordered phases in coo
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8484683/
https://www.ncbi.nlm.nih.gov/pubmed/34593883
http://dx.doi.org/10.1038/s41598-021-98739-6
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