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Part 1: Document Description
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Citation |
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Title: |
Replication Data for: Pd-doping of Bi₂Te₃ and superconductivity of Pd(Bi,Te)x from density functional theory |
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Identification Number: |
doi:10.26165/JUELICH-DATA/AOGBSS |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2024-04-30 |
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Version: |
1 |
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Bibliographic Citation: |
Rüßmann, Philipp; Wei, Xian-Kui; Jalil, Abdur Rehman; Ando, Yoichi; Grützmacher, Detlev; Blügel, Stefan; Mayer, Joachim, 2024, "Replication Data for: Pd-doping of Bi₂Te₃ and superconductivity of Pd(Bi,Te)x from density functional theory", https://doi.org/10.26165/JUELICH-DATA/AOGBSS, Jülich DATA, V1 |
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Citation |
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Title: |
Replication Data for: Pd-doping of Bi₂Te₃ and superconductivity of Pd(Bi,Te)x from density functional theory |
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Identification Number: |
doi:10.26165/JUELICH-DATA/AOGBSS |
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Authoring Entity: |
Rüßmann, Philipp (PGI-1 / IAS-1) |
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Wei, Xian-Kui (ER-C-2) |
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Jalil, Abdur Rehman (PGI-9) |
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Ando, Yoichi (University of Cologne) |
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Grützmacher, Detlev (PGI-9) |
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Blügel, Stefan (PGI-1 / IAS-1) |
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Mayer, Joachim (ER-C-2) |
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Distributor: |
Jülich DATA |
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Access Authority: |
Rüßmann, Philipp |
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Depositor: |
Rüßmann, Philipp |
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Date of Deposit: |
2024-04-29 |
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Study Scope |
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Keywords: |
Physics, density-functional theory, superconductivity, topological materials, Majorana |
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Abstract: |
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. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Notes: |
CC0 Waiver |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Identification Number: |
10.24435/materialscloud:4c-f0 |
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Bibliographic Citation: |
Philipp Rüßmann, Xian-Kui Wei, Abdur Rehman Jalil, Yoichi Ando, Detlev Grützmacher, Stefan Blügel, Joachim Mayer, Pd-doping of Bi₂Te₃ and superconductivity of Pd(Bi,Te)x from density functional theory, Materials Cloud Archive 2023.99 (2023) |