Description of the dataset

This dataset for the publication "Single in-situ interface characterization composed of niobium and a selectively grown topological insulator nanoribbon" contains both experimental and theory data.

Experimental Data

The File "Raw_Data_Experiment.zip" contains the experimental raw data of this work. The files are proivided in csv format.

| Name of sub directory | Description | | --------------------------------- | --------------------------------------------- | | Single dIdV Fig2 | Data for Figure 2 and Supplementary Figure S4 | | Temperature | Figure 3a and Supplementary Figure S6 | | Gate Voltage | Figure 3b and Supplementary Figure S5 | | Magnetic Field | Figure 4 | | Supp_Hall | Supplementary Figure S1 | | Supp_Nb | Supplementary Figure S2 | | Supp_Resistance Linfit | Supplementary Figure S3 | | Supp_TEM | Supplementary Figure S8 | | Supp_Zero Bias Conductance Peak | Supplementary Figure S7 |

Theoretical Data

The theory data is given in the aiida export file export.aiida which contains the full data provenance in the AiiDA graph.

| uuid | Description | | -------------------------------------- | --------------------------------------------------------- | | 78881704-f92e-4f44-a188-5416109414d1 | Tab. I & Fig. S9b: DOS for TI EF in gap (bulk insulating) | | 612f7fac-5d93-4fee-bbc6-7ceda6d56e0c | Tab. I & Figs. 5b, S9d: DOS for TI EF in VB (p-type) | | 1df34e66-b284-4884-b156-5979e5a529db | Tab. I: DOS for TI EF in CB (n-type) | | d8568999-a49d-46b9-89a2-ca54fb4a8b3b | Tab. I & Fig. 5b (DOS Nb110, E<0), same as in [1] | | c7bee213-6c4d-46f4-893f-aa96e0386851 | Tab. I & Fig. 5b (DOS Nb110, E>0), same as in [1] |

Additionally, the 3D visualisation of the density given in Figs. 5a and S9a,c is included in the file denvis.zip of this dataset.

The following AiiDA and python environment was used:

  • AiiDA-core version: AiiDA v2.3.1
  • AiiDA-related python environment:
$ pip freeze | grep 'masci\|aiida'
-e git+https://github.com/aiidateam/aiida-core@d0e1de261881daec87c452369f17c1f2533e3fe5#egg=aiida_core
-e git+https://github.com/JuDFTteam/aiida-kkr@72e244dd547aa245d745392aded57cc15a024514#egg=aiida_kkr
-e git+https://github.com/JuDFTteam/masci-tools@3f0d612181975f0c6389451489d6cd0e97429115#egg=masci_tools

[1] Philipp Rüßmann, Stefan Blügel, Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces, Materials Cloud Archive 2021.163 (2021), doi: 10.24435/materialscloud:9b-fv.