Publication date: Apr 05, 2023
Materials that can host Majorana zero modes gained a lot of attention in recent years due to the possibility to engineer topologically protected quantum computing platforms. Promising candidates are heterostructures of topological insulators and superconductors. Here we present density-functional-theory-based calculations for Pd-doped Bi₂Te₃ and Pd(Bi,Te)x (x=1,2) in order to shed light on the superconducting properties in the self-formed superconducting phase when Pd is deposited on top of the topological insulator Bi₂Te₃. This dataset accompanies a joint experiment/theory publication and publishes the related density functional theory calculations for: - relaxed geometries for Pd intercalation in the Bi₂Te₃ vdW gap - electronic structure of PdTe and PdTe₂ compared to alloy phases of Pd(Bi,Te) and Pd(Bi,Te)₂, collectively referred to as "xPBT" - calculations for the superconducting state of xPBT phases within the Kohn-Sham Bogoliubov-de Gennes method
No Explore or Discover sections associated with this archive record.
File name | Size | Description |
---|---|---|
export_PdTe_11_12_KKR.aiida
MD5md5:61eb190d4c8b5d4317f9b24f99601da0
|
44.6 MiB | AiiDA export file for superconducting xPBT |
KKR-BdG_notebooks.zip
MD5md5:183989a112ec26f77363dfecf03e7403
|
169.0 KiB | Jupyter notebooks used for data analysis and plotting of superconducting xPBT |
fleur_relax_Pd_Bi2Te3.aiida
MD5md5:f89519428db9247d00bc567dc30a0b43
|
1.9 GiB | AiiDA export file for FLEUR relaxation calculations |
figure_relaxed_geometries.ipynb
MD5md5:cfcc885928b547136ec2277daa666f60
|
26.4 KiB | Jupyter notebook for plotting and analysis of relaxed Pd-Bi2Te3 |
2023.56 (version v1) [This version] | Apr 05, 2023 | DOI10.24435/materialscloud:ky-mp |