Real-space superconducting properties in the atomically-thin limit: Ab initio approach and its application to Josephson junctions
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866908336790700032 |
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| author | Bekaert, Jonas Petrov, Mikhail Milošević, Milorad V. |
| author_facet | Bekaert, Jonas Petrov, Mikhail Milošević, Milorad V. |
| contents | Real-space superconducting properties are increasingly important to characterize low-dimensional, layered, and nanostructured materials. Here, we present a method to extract the real-space superconducting order parameter from the superconducting gap spectrum obtained via anisotropic Migdal-Eliashberg calculations, using the Bloch wave functions of the Fermi states. We apply this approach to a selection of atomically thin material systems. Our analysis of gallenene, a monolayer of gallium atoms, shows that its planar and buckled phases exhibit distinct superconducting order parameter behaviors, shaped by their structural and electronic properties. Furthermore, we demonstrate that our real-space approach is exceptionally suited to identify and characterize Josephson junctions made from van der Waals materials. Our examination of a bilayer of NbSe$_2$ reveals that the van der Waals gap acts as an intrinsic weak link between the superconducting NbSe$_2$ layers. Therefore, a bilayer of NbSe$_2$ represents one of the thinnest and most tunable Josephson junction architectures, with potential applications in quantum devices. Our findings underscore the utility of transformation into real-space in understanding superconducting properties through ab initio calculations. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2504_17702 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Real-space superconducting properties in the atomically-thin limit: Ab initio approach and its application to Josephson junctions Bekaert, Jonas Petrov, Mikhail Milošević, Milorad V. Superconductivity Real-space superconducting properties are increasingly important to characterize low-dimensional, layered, and nanostructured materials. Here, we present a method to extract the real-space superconducting order parameter from the superconducting gap spectrum obtained via anisotropic Migdal-Eliashberg calculations, using the Bloch wave functions of the Fermi states. We apply this approach to a selection of atomically thin material systems. Our analysis of gallenene, a monolayer of gallium atoms, shows that its planar and buckled phases exhibit distinct superconducting order parameter behaviors, shaped by their structural and electronic properties. Furthermore, we demonstrate that our real-space approach is exceptionally suited to identify and characterize Josephson junctions made from van der Waals materials. Our examination of a bilayer of NbSe$_2$ reveals that the van der Waals gap acts as an intrinsic weak link between the superconducting NbSe$_2$ layers. Therefore, a bilayer of NbSe$_2$ represents one of the thinnest and most tunable Josephson junction architectures, with potential applications in quantum devices. Our findings underscore the utility of transformation into real-space in understanding superconducting properties through ab initio calculations. |
| title | Real-space superconducting properties in the atomically-thin limit: Ab initio approach and its application to Josephson junctions |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2504.17702 |