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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2021-09-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-021-98739-6 |
| _version_ | 1830412259440984064 |
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| 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 |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-20T20:04:14Z |
| format | Article |
| id | doaj.art-8606e978a0e54a10bac5859af8f47b7b |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-12-20T20:04:14Z |
| publishDate | 2021-09-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-8606e978a0e54a10bac5859af8f47b7b2022-12-21T19:27:58ZengNature PortfolioScientific Reports2045-23222021-09-011111810.1038/s41598-021-98739-6Coexisting commensurate and incommensurate charge ordered phases in CoODevendra Negi0Deobrat Singh1Rajeev Ahuja2Peter A. van Aken3Stuttgart Center for Electron Microscopy, Max Planck Institute for Solid State ResearchCondensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala UniversityCondensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala UniversityStuttgart Center for Electron Microscopy, Max Planck Institute for Solid State ResearchAbstract 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.https://doi.org/10.1038/s41598-021-98739-6 |
| spellingShingle | Devendra Negi Deobrat Singh Rajeev Ahuja Peter A. van Aken Coexisting commensurate and incommensurate charge ordered phases in CoO Scientific Reports |
| 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 |
| url | https://doi.org/10.1038/s41598-021-98739-6 |
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