Electronic correlation and Mott localization of paramagnetic CrSBr crystal.
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| Title: | Electronic correlation and Mott localization of paramagnetic CrSBr crystal. |
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| 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] |
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| Database: | Engineering Source |
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| 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] |
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| ISSN: | 14346028 |
| DOI: | 10.1140/epjb/s10051-025-00991-6 |
