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Electronic correlation and Mott localization of paramagnetic CrSBr crystal.

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Title: Electronic correlation and Mott localization of paramagnetic CrSBr crystal.
Authors: Craco, L.1 (AUTHOR) lcraco@fisica.ufmt.br, Carara, S. S.1 (AUTHOR), Chagas, E. F.1 (AUTHOR), Cadore, A. R.1,2 (AUTHOR), Leoni, S.3 (AUTHOR)
Source: European Physical Journal B: Condensed Matter. Jul2025, Vol. 98 Issue 7, p1-7. 7p.
Subjects: Many-body problem, Metal-insulator transitions, Neuromorphics, Magnetic transitions, Electron configuration, Quasimolecules
Abstract: We perform a comprehensive analysis of the correlated electronic structure reconstruction within the paramagnetic phase of CrSBr van der Waals (vdW) crystal. Using generalized gradient approximation plus dynamical mean-field theory calculations, we explicitly demonstrate the importance of local dynamical correlations for a consistent understanding of the emergent Mott localized electronic state, showing the interplay between one-electron lineshape and multi-orbital t 2 g electronic interactions. Our strongly correlated many-body scenario is relevant to understanding the electronic structure reconstruction of the Cr 3 + oxidation state with nearly half-filled t 2 g orbitals and should be applicable to other vdW materials from bulk down to the low-dimensional limit. This work is a step forward in understanding the manifestation of orbital-selective Mott localization and its link to angle-resolved photoemission spectroscopy, electrical resistivity, and the current–voltage characteristic. The presented theoretical results indicate how orbital reconstruction leads to volatile memristive functionality of CrSBr for future neuromorphic computing. [ABSTRACT FROM AUTHOR]
Copyright of European Physical Journal B: Condensed Matter is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Electronic correlation and Mott localization of paramagnetic CrSBr crystal.
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  Data: <searchLink fieldCode="AR" term="%22Craco%2C+L%2E%22">Craco, L.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> lcraco@fisica.ufmt.br</i><br /><searchLink fieldCode="AR" term="%22Carara%2C+S%2E+S%2E%22">Carara, S. S.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chagas%2C+E%2E+F%2E%22">Chagas, E. F.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Cadore%2C+A%2E+R%2E%22">Cadore, A. R.</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Leoni%2C+S%2E%22">Leoni, S.</searchLink><relatesTo>3</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22European+Physical+Journal+B%3A+Condensed+Matter%22">European Physical Journal B: Condensed Matter</searchLink>. Jul2025, Vol. 98 Issue 7, p1-7. 7p.
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  Data: <searchLink fieldCode="DE" term="%22Many-body+problem%22">Many-body problem</searchLink><br /><searchLink fieldCode="DE" term="%22Metal-insulator+transitions%22">Metal-insulator transitions</searchLink><br /><searchLink fieldCode="DE" term="%22Neuromorphics%22">Neuromorphics</searchLink><br /><searchLink fieldCode="DE" term="%22Magnetic+transitions%22">Magnetic transitions</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+configuration%22">Electron configuration</searchLink><br /><searchLink fieldCode="DE" term="%22Quasimolecules%22">Quasimolecules</searchLink>
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  Data: We perform a comprehensive analysis of the correlated electronic structure reconstruction within the paramagnetic phase of CrSBr van der Waals (vdW) crystal. Using generalized gradient approximation plus dynamical mean-field theory calculations, we explicitly demonstrate the importance of local dynamical correlations for a consistent understanding of the emergent Mott localized electronic state, showing the interplay between one-electron lineshape and multi-orbital t 2 g electronic interactions. Our strongly correlated many-body scenario is relevant to understanding the electronic structure reconstruction of the Cr 3 + oxidation state with nearly half-filled t 2 g orbitals and should be applicable to other vdW materials from bulk down to the low-dimensional limit. This work is a step forward in understanding the manifestation of orbital-selective Mott localization and its link to angle-resolved photoemission spectroscopy, electrical resistivity, and the current–voltage characteristic. The presented theoretical results indicate how orbital reconstruction leads to volatile memristive functionality of CrSBr for future neuromorphic computing. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of European Physical Journal B: Condensed Matter is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1140/epjb/s10051-025-00991-6
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      – SubjectFull: Magnetic transitions
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      – SubjectFull: Electron configuration
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      – SubjectFull: Quasimolecules
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              Text: Jul2025
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              Y: 2025
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