111 to 120 of 153 Results
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
Rüßmann, Philipp; Antognini Silva, David; Géranton, Guillaume; Bauer, David. S. G.; Baumeister, Paul F.; Bornemann, Marcel; Bouaziz, Juba; Brinker, Sascha; Chico, Jonathan; Dederichs, Peter H.; Drittler, Bernhard H.; Dos Santos, Flaviano; dos Santos Dias, Manuel; Essing, Nicolas; Klepetsanis, Ilias; Kosma, Adamantia; Long, Nguyen H.; Lounis, Samir; Mavropoulos, Phivos; Mendive Tapia, Eduardo; Oran, Cem; Papanikolaou, Nikos; Rabel, Elias; Schweflinghaus, Benedikt; Stefanou, Nikolaos; Thiess, Alexander R.; Zeller, Rudolf; Zimmermann, Bernd; Blügel, Stefan, 2024, "JuDFTteam/JuKKR: v3.6", https://doi.org/10.26165/JUELICH-DATA/CEPFOY, Jülich DATA, V1
The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
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
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 d... |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
Rüßmann, Philipp; Antognini Silva, David; Bertoldo, Fabian; Bröder, Jens; Chico, Jonathan; Mozumder, Rubel; Wasmer, Johannes; Blügel, Stefan, 2024, "JuDFTteam/aiida-kkr", https://doi.org/10.26165/JUELICH-DATA/R7TJC2, Jülich DATA, V1
AiiDA plugin for Jülich KKR codes (https://jukkr.fz-juelich.de) |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
Rüßmann, Philipp; Blügel, Stefan, 2024, "Replication Data for: Proximity induced superconductivity in a topological insulator", https://doi.org/10.26165/JUELICH-DATA/LKLCOZ, Jülich DATA, V1
Interfacing a topological insulator (TI) with an s-wave superconductor (SC) is a promising material platform that offers the possibility to realize a topological superconductor through which Majorana-based topologically protected qubits can be engineered. In our computational stu... |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
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... |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
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... |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
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... |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
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. |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
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 |
Apr 30, 2024 - Peter Grünberg Institute – Quantum Theory of Materials (PGI-1)
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... |
