Jan P. Cuperus¹, Arnold H. Kole^1*, Andrés R. Botello-Méndez¹, Zeila Zanolli^1*, Daniel Vanmaekelbergh¹, Ingmar Swart¹

1 Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, The Netherlands

* Corresponding authors emails: materialscloud@ahkole.nl, z.zanolli@uu.nl

DOI10.24435/materialscloud:1b-aa [version v1]

Publication date: Jan 22, 2025

How to cite this record

Jan P. Cuperus, Arnold H. Kole, Andrés R. Botello-Méndez, Zeila Zanolli, Daniel Vanmaekelbergh, Ingmar Swart, One dimensional edge localized YSR states in CrCl₃ on NbSe₂, Materials Cloud Archive 2025.15 (2025), https://doi.org/10.24435/materialscloud:1b-aa

Description

Magnet/superconductor hybrid systems have been put forward as a platform for realizing topological superconductivity. We investigated the heterostructure of ferromagnetic monolayer CrCl₃ and superconducting NbSe₂. Using low-temperature scanning tunneling microscopy, we observe topologically trivial Yu-Shiba-Rusinov (YSR) states localized at the edge of CrCl₃ islands. DFT simulations reveal that the Cr atoms at the edge have an enhanced d-orbital DOS close to the Fermi energy. This leads to an exchange coupling between these atoms and the substrate that rationalizes the edge-localization of the YSR states. This dataset contains the first-principles calculations performed on a nanoribbon of CrCl₃ on NbSe₂ and the associated notebooks used to generate figures from this data.

Materials Cloud sections using this data

Files

File name	Size	Description
SIESTA-NbSe2-CrCl3.aiida MD5md5:2f9f5b5ddbb7f735a918f36f5e68dabc Open this AiiDA archive on renkulab.io (https://renkulab.io/)	1.5 GiB	AiiDA export of the calculation data that supports the findings in the paper
nanoribbon-armchair7-sep3-Se2.top.png MD5md5:b6ff2d003f3a75216a8a6ddcf2fc3704	583.9 KiB	VESTA bitmap export of a visualization of the nanoribbon as seen from the top
nanoribbon-armchair7-sep3-Se2.side.png MD5md5:39deedb5a9793af8416699abcca32390	415.8 KiB	VESTA bitmap export of a visualization of the nanoribbon as seen from the side
Figures-main-text.ipynb MD5md5:963c3514c2cbebad02f88101fe77a8a2	17.3 KiB	Notebook to produce the plots of the calculation data from the main text
Figures-supplementary.ipynb MD5md5:d6d79b86844a6a83539f823aa26a5e41	43.9 KiB	Notebook to produce the plots of the calculation data from the supplementary information
requirements.txt MD5md5:95b0d77f4a15b675692b96cdfbf44f50	2.1 KiB	The list of packages required to use the notebooks, the versions of these packages were tested to work properly
README.md MD5md5:04d7a5afaee86c5f3d688b7b1715020c	3.0 KiB	Description of the files in this dataset and how to use them

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

Superconductivity Van der Waals Magnetism Yu-Shiba-Rusinov Heterostructure H2020 Horizon Europe PRACE density-functional theory AiiDA AiiDA-Siesta SIESTA NbSe2 CrCl3