Coexisting commensurate and incommensurate charge ordered phases in CoO

Abstract 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 (C...

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Autores principales:	Devendra Negi, Deobrat Singh, Rajeev Ahuja, Peter A. van Aken
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/8606e978a0e54a10bac5859af8f47b7b
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spelling	oai:doaj.org-article:8606e978a0e54a10bac5859af8f47b7b2021-12-02T17:37:28ZCoexisting commensurate and incommensurate charge ordered phases in CoO10.1038/s41598-021-98739-62045-2322https://doaj.org/article/8606e978a0e54a10bac5859af8f47b7b2021-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-98739-6https://doaj.org/toc/2045-2322Abstract 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 ( $$q_{1}$$ q 1 = $$\frac{1}{2}(1,1,{\bar{1}})$$ 1 2 ( 1 , 1 , 1 ¯ ) and ICOM ( $$q_{2}=0.213(1,1,{\bar{1}})$$ q 2 = 0.213 ( 1 , 1 , 1 ¯ ) ) 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 ( $$\mathrm {Co}_{1-\textit{x}}\mathrm {O}, \text {with }{} \textit{x} = 4.17 \%$$ Co 1 - x O , with x = 4.17 % ) stabilizes Jahn-Teller (JT) distortion and localized aliovalent $$\mathrm {Co}^{3+}$$ Co 3 + states in CoO. Therefore, the lattice distortion accompanied with mixed valence states ( $$\mathrm {Co}^{3+}, \mathrm {Co}^{2+}$$ Co 3 + , Co 2 + ) 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.Devendra NegiDeobrat SinghRajeev AhujaPeter A. van AkenNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Devendra Negi Deobrat Singh Rajeev Ahuja Peter A. van Aken Coexisting commensurate and incommensurate charge ordered phases in CoO
description	Abstract 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 ( $$q_{1}$$ q 1 = $$\frac{1}{2}(1,1,{\bar{1}})$$ 1 2 ( 1 , 1 , 1 ¯ ) and ICOM ( $$q_{2}=0.213(1,1,{\bar{1}})$$ q 2 = 0.213 ( 1 , 1 , 1 ¯ ) ) 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 ( $$\mathrm {Co}_{1-\textit{x}}\mathrm {O}, \text {with }{} \textit{x} = 4.17 \%$$ Co 1 - x O , with x = 4.17 % ) stabilizes Jahn-Teller (JT) distortion and localized aliovalent $$\mathrm {Co}^{3+}$$ Co 3 + states in CoO. Therefore, the lattice distortion accompanied with mixed valence states ( $$\mathrm {Co}^{3+}, \mathrm {Co}^{2+}$$ Co 3 + , Co 2 + ) 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.
format	article
author	Devendra Negi Deobrat Singh Rajeev Ahuja Peter A. van Aken
author_facet	Devendra Negi Deobrat Singh Rajeev Ahuja Peter A. van Aken
author_sort	Devendra Negi
title	Coexisting commensurate and incommensurate charge ordered phases in CoO
title_short	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_sort	coexisting commensurate and incommensurate charge ordered phases in coo
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/8606e978a0e54a10bac5859af8f47b7b
work_keys_str_mv	AT devendranegi coexistingcommensurateandincommensuratechargeorderedphasesincoo AT deobratsingh coexistingcommensurateandincommensuratechargeorderedphasesincoo AT rajeevahuja coexistingcommensurateandincommensuratechargeorderedphasesincoo AT peteravanaken coexistingcommensurateandincommensuratechargeorderedphasesincoo
_version_	1718379893582987264

Coexisting commensurate and incommensurate charge ordered phases in CoO

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