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

The dataverse of the Peter Grünberg Institute – Quantum Theory of Materials (PGI-1 / IAS-1)

Featured Dataverses

In order to use this feature you must have at least one published dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

11 to 17 of 17 Results

The JuDiT database of impurities embedded into a topological insulator Apr 30, 2024 Rüßmann, Philipp; Bertoldo, Fabian; Blügel, Stefan, 2024, "The JuDiT database of impurities embedded into a topological insulator", https://doi.org/10.26165/JUELICH-DATA/AHNGRQ, Jülich DATA, V1 We present JuDiT (Jülich Database of impurities embedded into a Topological insulator) which collects first principles calculation of impurities embedded into the prototypical topological insulator Sb2Te3. The density functional calculations of this work were performed with the J...
Replication Data for: Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces Apr 30, 2024 Rüßmann, Philipp; Blügel, Stefan, 2024, "Replication Data for: Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces", https://doi.org/10.26165/JUELICH-DATA/UW8LQU, Jülich DATA, V1 Material-specific calculations based on density functional theory play a major role in understanding and designing the properties of quantum matter. In the field of topological quantum computing there is an intense search for material systems that have the ability to realize Majo...
The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations Apr 30, 2024 Rüßmann, Philipp; Ribas Sobreviela, Jordi; Sallermann, Moritz; Hoffmann, Markus; Rhiem, Florian; Blügel, Stefan, 2024, "The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations", https://doi.org/10.26165/JUELICH-DATA/HVDAFE, Jülich DATA, V1 Landau-Lifshitz-Gilbert (LLG) spin-dynamics calculations based on the extended Heisenberg Hamiltonian is an important tool in computational materials science involving magnetic materials. LLG simulations allow to bridge the gap from expensive quantum mechanical calculations with...
JuDFTteam/aiida-jutools Apr 30, 2024 Wasmer, Johannes; Kovacik, Roman; Rüßmann, Philipp, 2024, "JuDFTteam/aiida-jutools", https://doi.org/10.26165/JUELICH-DATA/MSDNXU, Jülich DATA, V1 Tools for simplifying daily work with the AiiDA workflow engine.
JuDFTteam/aiida-spirit: Version 0.2.1 Apr 30, 2024 Rüßmann, Philipp; Ribas Sobreviela, Jordi; Sallermann, Moritz; Hoffmann, Markus; Rhiem, Floarian; Blügel, Stefan, 2024, "JuDFTteam/aiida-spirit: Version 0.2.1", https://doi.org/10.26165/JUELICH-DATA/C9HFEB, Jülich DATA, V1 AiiDA-Spirit version 0.2.1
Replication Data for: Proximity-induced Cooper pairing at low and finite energies in the gold Rashba surface state Apr 30, 2024 Rüßmann, Philipp; Bahari, Masoud; Blügel, Stefan; Trauzettel, Björn, 2024, "Replication Data for: Proximity-induced Cooper pairing at low and finite energies in the gold Rashba surface state", https://doi.org/10.26165/JUELICH-DATA/TWMOWW, Jülich DATA, V1 Multi-band effects in superconducting heterostructures provide a rich playground for unconventional physics. We combine two complementary approaches based on density-functional theory (DFT) and effective low-energy model theory in order to investigate the proximity effect in a go...
Replication Data for: Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te3 Apr 30, 2024 Rüßmann, Philipp; Tcakaev, Abdul; Zabolotnyy, Volodymyr B.; Fornari, Celso I.; Peixoto, Thiago R. F.; Stier, Fabian; Dettbarn, Michael; Kagerer, Philipp; Weschke, Eugen; Schierle, Enrico; Bencok, Peter; Rappl, Paulo H. O.; Abramof, Eduardo; Bentmann, Hendrik; Goering, Eberhard; Reinert, Friedrich; Hinkov, Vladimir, 2024, "Replication Data for: Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te3", https://doi.org/10.26165/JUELICH-DATA/X4WIDY, Jülich DATA, V1 Rare earth ions typically exhibit larger magnetic moments than transition metal ions and thus promise the opening of a wider exchange gap in the Dirac surface states of topological insulators. Yet, in a recent photoemission study of Eu-doped Bi2Te3 films, the spectra remained gap...

The JuDiT database of impurities embedded into a topological insulator

Apr 30, 2024

Rüßmann, Philipp; Bertoldo, Fabian; Blügel, Stefan, 2024, "The JuDiT database of impurities embedded into a topological insulator", https://doi.org/10.26165/JUELICH-DATA/AHNGRQ, Jülich DATA, V1

We present JuDiT (Jülich Database of impurities embedded into a Topological insulator) which collects first principles calculation of impurities embedded into the prototypical topological insulator Sb2Te3. The density functional calculations of this work were performed with the J...

Replication Data for: Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces

Apr 30, 2024

Rüßmann, Philipp; Blügel, Stefan, 2024, "Replication Data for: Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces", https://doi.org/10.26165/JUELICH-DATA/UW8LQU, Jülich DATA, V1

Material-specific calculations based on density functional theory play a major role in understanding and designing the properties of quantum matter. In the field of topological quantum computing there is an intense search for material systems that have the ability to realize Majo...

The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations

Apr 30, 2024

Rüßmann, Philipp; Ribas Sobreviela, Jordi; Sallermann, Moritz; Hoffmann, Markus; Rhiem, Florian; Blügel, Stefan, 2024, "The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations", https://doi.org/10.26165/JUELICH-DATA/HVDAFE, Jülich DATA, V1

Landau-Lifshitz-Gilbert (LLG) spin-dynamics calculations based on the extended Heisenberg Hamiltonian is an important tool in computational materials science involving magnetic materials. LLG simulations allow to bridge the gap from expensive quantum mechanical calculations with...

JuDFTteam/aiida-jutools

Apr 30, 2024

Wasmer, Johannes; Kovacik, Roman; Rüßmann, Philipp, 2024, "JuDFTteam/aiida-jutools", https://doi.org/10.26165/JUELICH-DATA/MSDNXU, Jülich DATA, V1

Tools for simplifying daily work with the AiiDA workflow engine.

JuDFTteam/aiida-spirit: Version 0.2.1

Apr 30, 2024

Rüßmann, Philipp; Ribas Sobreviela, Jordi; Sallermann, Moritz; Hoffmann, Markus; Rhiem, Floarian; Blügel, Stefan, 2024, "JuDFTteam/aiida-spirit: Version 0.2.1", https://doi.org/10.26165/JUELICH-DATA/C9HFEB, Jülich DATA, V1

AiiDA-Spirit version 0.2.1

Replication Data for: Proximity-induced Cooper pairing at low and finite energies in the gold Rashba surface state

Apr 30, 2024

Rüßmann, Philipp; Bahari, Masoud; Blügel, Stefan; Trauzettel, Björn, 2024, "Replication Data for: Proximity-induced Cooper pairing at low and finite energies in the gold Rashba surface state", https://doi.org/10.26165/JUELICH-DATA/TWMOWW, Jülich DATA, V1

Multi-band effects in superconducting heterostructures provide a rich playground for unconventional physics. We combine two complementary approaches based on density-functional theory (DFT) and effective low-energy model theory in order to investigate the proximity effect in a go...

Replication Data for: Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te3

Apr 30, 2024

Rüßmann, Philipp; Tcakaev, Abdul; Zabolotnyy, Volodymyr B.; Fornari, Celso I.; Peixoto, Thiago R. F.; Stier, Fabian; Dettbarn, Michael; Kagerer, Philipp; Weschke, Eugen; Schierle, Enrico; Bencok, Peter; Rappl, Paulo H. O.; Abramof, Eduardo; Bentmann, Hendrik; Goering, Eberhard; Reinert, Friedrich; Hinkov, Vladimir, 2024, "Replication Data for: Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te3", https://doi.org/10.26165/JUELICH-DATA/X4WIDY, Jülich DATA, V1

Rare earth ions typically exhibit larger magnetic moments than transition metal ions and thus promise the opening of a wider exchange gap in the Dirac surface states of topological insulators. Yet, in a recent photoemission study of Eu-doped Bi2Te3 films, the spectra remained gap...

Add Data

Share Dataverse

Link Dataverse

Reset Modifications