Home > Publications database > Pd-doping of Bi₂Te₃ and superconductivity of Pd(Bi,Te)x from density functional theory > print

001     1008881
005     20230705203335.0
024 7 _ |a 10.24435/MATERIALSCLOUD:4C-F0
|2 doi
037 _ _ |a FZJ-2023-02525
041 _ _ |a English
100 1 _ |a Rüssmann, Philipp
|0 P:(DE-Juel1)157882
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245 _ _ |a Pd-doping of Bi₂Te₃ and superconductivity of Pd(Bi,Te)x from density functional theory
260 _ _ |c 2023
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520 _ _ |a 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
536 _ _ |a 5211 - Topological Matter (POF4-521)
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536 _ _ |a EXC 2004:  Matter and Light for Quantum Computing (ML4Q) (390534769)
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588 _ _ |a Dataset connected to DataCite
650 _ 7 |a density-functional theory
|2 Other
650 _ 7 |a superconductivity
|2 Other
650 _ 7 |a topological materials
|2 Other
650 _ 7 |a Majorana
|2 Other
700 1 _ |a Wei, Xiankui
|0 P:(DE-Juel1)145420
|b 1
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700 1 _ |a Rehman Jalil, Abdur
|0 P:(DE-HGF)0
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700 1 _ |a Ando, Yoichi
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700 1 _ |a Grützmacher, Detlev
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700 1 _ |a Blügel, Stefan
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700 1 _ |a Mayer, Joachim
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773 _ _ |a 10.24435/MATERIALSCLOUD:4C-F0
|v 2023.99
909 C O |o oai:juser.fz-juelich.de:1008881
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