1
views
0
recommends
+1 Recommend
0 collections
    0
    shares
      • Record: found
      • Abstract: found
      • Article: found
      Is Open Access

      Coexisting commensurate and incommensurate charge ordered phases in CoO

      research-article

      Read this article at

      Bookmark
          There is no author summary for this article yet. Authors can add summaries to their articles on ScienceOpen to make them more accessible to a non-specialist audience.

          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 ( \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$q_{1}$$\end{document} = \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\frac{1}{2}(1,1,{\bar{1}})$$\end{document} and ICOM ( \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$q_{2}=0.213(1,1,{\bar{1}})$$\end{document} ) 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 ( \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\mathrm {Co}_{1-\textit{x}}\mathrm {O}, \text {with }{} \textit{x} = 4.17 \%$$\end{document} ) stabilizes Jahn-Teller (JT) distortion and localized aliovalent \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\mathrm {Co}^{3+}$$\end{document} states in CoO. Therefore, the lattice distortion accompanied with mixed valence states ( \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\mathrm {Co}^{3+}, \mathrm {Co}^{2+}$$\end{document} ) 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.

          Related collections

          Most cited references 61

          • Record: found
          • Abstract: not found
          • Article: not found

          Generalized Gradient Approximation Made Simple

            Bookmark
            • Record: found
            • Abstract: not found
            • Article: not found

            Special points for Brillouin-zone integrations

              Bookmark
              • Record: found
              • Abstract: not found
              • Article: not found

              Ab initiomolecular dynamics for liquid metals

               G Kresse,  J Hafner (1993)
                Bookmark

                Author and article information

                Contributors
                d.negi@fkf.mpg.de
                Journal
                Sci Rep
                Sci Rep
                Scientific Reports
                Nature Publishing Group UK (London )
                2045-2322
                30 September 2021
                30 September 2021
                2021
                : 11
                Affiliations
                [1 ]GRID grid.419552.e, ISNI 0000 0001 1015 6736, Stuttgart Center for Electron Microscopy, , Max Planck Institute for Solid State Research, ; Heisenbergstr.1, 70569 Stuttgart, Germany
                [2 ]GRID grid.8993.b, ISNI 0000 0004 1936 9457, Condensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, , Uppsala University, ; Box 516, 75120 Uppsala, Sweden
                [3 ]GRID grid.462391.b, ISNI 0000 0004 1769 8011, Department of Physics, , Indian Institute of Technology Ropar, ; Rupnagar, Punjab 140001 India
                Article
                98739
                10.1038/s41598-021-98739-6
                8484683
                34593883
                5d357c06-0b8b-4989-9ab0-9b28ded5bc32
                © The Author(s) 2021

                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/.

                Funding
                Funded by: FundRef http://dx.doi.org/10.13039/501100001862, Svenska Forskningsrådet Formas;
                Award ID: VR-2016-06014
                Award ID: VR-2020-04410
                Funded by: Max Planck Institute for Solid State Research (2)
                Categories
                Article
                Custom metadata
                © The Author(s) 2021

                Uncategorized

                materials science, physics

                Comments

                Comment on this article