Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)

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51 to 60 of 72 Results

spex_ucRPA-1.out Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method Unknown - 37.8 KB - SHA-256: 8dece3385c0cfc94ac754b380db9b91ae24eacef4ced7a63d9272b1728285322
spex_ucRPA.out Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method Unknown - 59.6 KB - SHA-256: a5f83d4f7d5e84b4c815acf1f4fe86b9ae8482528199aa0864461b39d1b3ba97
spex_wcRPA-1.out Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method Unknown - 105.8 KB - SHA-256: 72518d05e5870299627c246a195026e43b7b38bffa2e202085c2a5fa6d3d7967
spex_wcRPA.out Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method Unknown - 108.4 KB - SHA-256: f523d54193dc17fd301a11cd53da406d8036dcc4aa3ddfeb7b95690733abbf10
Replication Data for: Rare-earth atoms on Nb(110) as a platform to engineer topological superconductivity Dec 9, 2024 Antognini Silva, David; Wang, Yu; Atodiresei, Nicolae; Friedrich, Felix; Blügel, Stefan; Bode, Matthias; Rüßmann, Philipp; Odobesko, Artem, 2024, "Replication Data for: Rare-earth atoms on Nb(110) as a platform to engineer topological superconductivity", https://doi.org/10.26165/JUELICH-DATA/BSCH6M, Jülich DATA, V1 Our study reveals how Gd adatoms and dimers on a superconducting Nb(110) surface induce Yu-Shiba-Rusinov (YSR) states, offering valuable insights into magnetic interactions of rare-earth atoms on superconducting surfaces. By engineering Gd dimers along the [1-10] and [001] direct...
Replication Data for: Engineering epitaxial interfaces for topological insulator – superconductor hybrid devices with Al electrodes Oct 28, 2024 Jalil, Abdur Rehman; Schmitt, Tobias, W.; Rüßmann, Philipp; Wei, Xian-Kui; Frohn, Benedikt; Schleenvoigt, Michael; Wittl, Wilhelm; Hou, Xiao; Schmidt, Anne; Underwood, Kaycee; Bihlmayer, Gustav; Luysberg, Martina; Mayer, Joachim; Blügel, Stefan; Grützmacher, Detlev; Schüffelgen, Peter, 2024, "Replication Data for: Engineering epitaxial interfaces for topological insulator – superconductor hybrid devices with Al electrodes", https://doi.org/10.26165/JUELICH-DATA/XJICAR, Jülich DATA, V1 Proximity-induced superconductivity in hybrid devices of topological insulators and superconductors offers a promising platform for the pursuit of elusive topological superconductivity and its anticipated applications, such as fault-tolerant quantum computing. To study and harnes...
Replication Data for: High-throughput magnetic co-doping and design of exchange interactions in topological insulators Sep 24, 2024 Mozumder, Rubel; Wasmer, Johannes; Antognini Silva, David; Blügel, Stefan; Rüßmann, Philipp, 2024, "Replication Data for: High-throughput magnetic co-doping and design of exchange interactions in topological insulators", https://doi.org/10.26165/JUELICH-DATA/MGIRGG, Jülich DATA, V2 Using high-throughput automation of ab-initio impurity-embedding simulations we created a database of 3d and 4d transition metal defects embedded into the prototypical topological insulators (TIs) Bi₂Te₃ and Bi₂Se₃. We simulate both single impurities as well as impurity dimers at...
Replication Data for: Low-energy modeling of three-dimensional topological insulator nanostructures Jul 5, 2024 Zsurka, Eduárd; Wang, Cheng; Legendre, Julian; Di Miceli, Daniele; Serra, Llorenç; Grützmacher, Detlev; Schmidt, Thomas L.; Rüßmann, Philipp; Moors, Kristof, 2024, "Replication Data for: Low-energy modeling of three-dimensional topological insulator nanostructures", https://doi.org/10.26165/JUELICH-DATA/EDREBI, Jülich DATA, V1 We develop an accurate nanoelectronic modeling approach for realistic three-dimensional topological insulator nanostructures and investigate their low-energy surface-state spectrum. Starting from the commonly considered four-band k·p bulk model Hamiltonian for the Bi₂Se₃ family o...
Replication Data for: Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo1-xWxTe2 Jul 4, 2024 O. Fedchenko; F. K. Diekmann; Rüßmann, Philipp; M. Kallmayer; L. Odenbreit; S. M. Souliou; M. Frachet; A. Winkelmann; M. Merz; S. Chernov; D. Vasilyev; D. Kutnyakhov; O. Tkach; Ya. Lytvynenko; K. Medjanik; C. Schlueter; A. Gloskovskii; T. R. F. Peixoto; M. Hoesch; M. Le Tacon; Y. Mokrousov; K. Roßnagel; G. Schönhense; H.-J. Elmers, 2024, "Replication Data for: Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo1-xWxTe2", https://doi.org/10.26165/JUELICH-DATA/VIPMIY, Jülich DATA, V1 A comprehensive study of the electronic and structural phase transition from 1T` to Td in the bulk Weyl semimetal Mo1-xWxTe2 at different doping concentrations has been carried out using time-of-flight momentum microscopy (including circular and linear dichroism), X-ray photoelec...
Replication Data for: Single in-situ interface characterization composed of niobium and a selectively grown (Bi1-xSbx)2Te3 topological insulator nanoribbon Apr 30, 2024 Janßen, Kevin; Rüßmann, Philipp; Liberda, Sergej; Schleenvoigt, Michael; Hou, Xiao; Jalil, Abdur Rehman; Lentz, Florian; Trellenkamp, Stefan; Bennemann, Benjamin; Zimmermann, Erik; Mussler, Gregor; Schüffelgen, Peter; Schneider, Claus-Michael; Blügel, Stefan; Grützmacher, Detlev; Plucinski, Lukasz; Schäpers, Thomas, 2024, "Replication Data for: Single in-situ interface characterization composed of niobium and a selectively grown (Bi1-xSbx)2Te3 topological insulator nanoribbon", https://doi.org/10.26165/JUELICH-DATA/47PXBG, Jülich DATA, V1 With increasing interest in Majorana physics for possible quantum bit applications, a large interest has been developed to understand the properties of the interface between a s-type superconductor and a topological insulator. Up to this point the interface analysis was mainly fo...

spex_ucRPA-1.out

Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method

Unknown - 37.8 KB - SHA-256: 8dece3385c0cfc94ac754b380db9b91ae24eacef4ced7a63d9272b1728285322

spex_ucRPA.out

Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method

Unknown - 59.6 KB - SHA-256: a5f83d4f7d5e84b4c815acf1f4fe86b9ae8482528199aa0864461b39d1b3ba97

spex_wcRPA-1.out

Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method

Unknown - 105.8 KB - SHA-256: 72518d05e5870299627c246a195026e43b7b38bffa2e202085c2a5fa6d3d7967

spex_wcRPA.out

Apr 1, 2026 - Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method

Unknown - 108.4 KB - SHA-256: f523d54193dc17fd301a11cd53da406d8036dcc4aa3ddfeb7b95690733abbf10

Replication Data for: Rare-earth atoms on Nb(110) as a platform to engineer topological superconductivity

Dec 9, 2024

Antognini Silva, David; Wang, Yu; Atodiresei, Nicolae; Friedrich, Felix; Blügel, Stefan; Bode, Matthias; Rüßmann, Philipp; Odobesko, Artem, 2024, "Replication Data for: Rare-earth atoms on Nb(110) as a platform to engineer topological superconductivity", https://doi.org/10.26165/JUELICH-DATA/BSCH6M, Jülich DATA, V1

Our study reveals how Gd adatoms and dimers on a superconducting Nb(110) surface induce Yu-Shiba-Rusinov (YSR) states, offering valuable insights into magnetic interactions of rare-earth atoms on superconducting surfaces. By engineering Gd dimers along the [1-10] and [001] direct...

Replication Data for: Engineering epitaxial interfaces for topological insulator – superconductor hybrid devices with Al electrodes

Oct 28, 2024

Jalil, Abdur Rehman; Schmitt, Tobias, W.; Rüßmann, Philipp; Wei, Xian-Kui; Frohn, Benedikt; Schleenvoigt, Michael; Wittl, Wilhelm; Hou, Xiao; Schmidt, Anne; Underwood, Kaycee; Bihlmayer, Gustav; Luysberg, Martina; Mayer, Joachim; Blügel, Stefan; Grützmacher, Detlev; Schüffelgen, Peter, 2024, "Replication Data for: Engineering epitaxial interfaces for topological insulator – superconductor hybrid devices with Al electrodes", https://doi.org/10.26165/JUELICH-DATA/XJICAR, Jülich DATA, V1

Proximity-induced superconductivity in hybrid devices of topological insulators and superconductors offers a promising platform for the pursuit of elusive topological superconductivity and its anticipated applications, such as fault-tolerant quantum computing. To study and harnes...

Replication Data for: High-throughput magnetic co-doping and design of exchange interactions in topological insulators

Sep 24, 2024

Mozumder, Rubel; Wasmer, Johannes; Antognini Silva, David; Blügel, Stefan; Rüßmann, Philipp, 2024, "Replication Data for: High-throughput magnetic co-doping and design of exchange interactions in topological insulators", https://doi.org/10.26165/JUELICH-DATA/MGIRGG, Jülich DATA, V2

Using high-throughput automation of ab-initio impurity-embedding simulations we created a database of 3d and 4d transition metal defects embedded into the prototypical topological insulators (TIs) Bi₂Te₃ and Bi₂Se₃. We simulate both single impurities as well as impurity dimers at...

Replication Data for: Low-energy modeling of three-dimensional topological insulator nanostructures

Jul 5, 2024

Zsurka, Eduárd; Wang, Cheng; Legendre, Julian; Di Miceli, Daniele; Serra, Llorenç; Grützmacher, Detlev; Schmidt, Thomas L.; Rüßmann, Philipp; Moors, Kristof, 2024, "Replication Data for: Low-energy modeling of three-dimensional topological insulator nanostructures", https://doi.org/10.26165/JUELICH-DATA/EDREBI, Jülich DATA, V1

We develop an accurate nanoelectronic modeling approach for realistic three-dimensional topological insulator nanostructures and investigate their low-energy surface-state spectrum. Starting from the commonly considered four-band k·p bulk model Hamiltonian for the Bi₂Se₃ family o...

Replication Data for: Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo1-xWxTe2

Jul 4, 2024

O. Fedchenko; F. K. Diekmann; Rüßmann, Philipp; M. Kallmayer; L. Odenbreit; S. M. Souliou; M. Frachet; A. Winkelmann; M. Merz; S. Chernov; D. Vasilyev; D. Kutnyakhov; O. Tkach; Ya. Lytvynenko; K. Medjanik; C. Schlueter; A. Gloskovskii; T. R. F. Peixoto; M. Hoesch; M. Le Tacon; Y. Mokrousov; K. Roßnagel; G. Schönhense; H.-J. Elmers, 2024, "Replication Data for: Doping-Induced Electronic and Structural Phase Transition in the Bulk Weyl semimetal Mo1-xWxTe2", https://doi.org/10.26165/JUELICH-DATA/VIPMIY, Jülich DATA, V1

A comprehensive study of the electronic and structural phase transition from 1T` to Td in the bulk Weyl semimetal Mo1-xWxTe2 at different doping concentrations has been carried out using time-of-flight momentum microscopy (including circular and linear dichroism), X-ray photoelec...

Replication Data for: Single in-situ interface characterization composed of niobium and a selectively grown (Bi1-xSbx)2Te3 topological insulator nanoribbon

Apr 30, 2024

Janßen, Kevin; Rüßmann, Philipp; Liberda, Sergej; Schleenvoigt, Michael; Hou, Xiao; Jalil, Abdur Rehman; Lentz, Florian; Trellenkamp, Stefan; Bennemann, Benjamin; Zimmermann, Erik; Mussler, Gregor; Schüffelgen, Peter; Schneider, Claus-Michael; Blügel, Stefan; Grützmacher, Detlev; Plucinski, Lukasz; Schäpers, Thomas, 2024, "Replication Data for: Single in-situ interface characterization composed of niobium and a selectively grown (Bi1-xSbx)2Te3 topological insulator nanoribbon", https://doi.org/10.26165/JUELICH-DATA/47PXBG, Jülich DATA, V1

With increasing interest in Majorana physics for possible quantum bit applications, a large interest has been developed to understand the properties of the interface between a s-type superconductor and a topological insulator. Up to this point the interface analysis was mainly fo...

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