This title appears in the Scientific Report :
2023
Please use the identifier:
http://dx.doi.org/10.34734/FZJ-2024-00246 in citations.
Ab initio study of the Van der Waals Superconductor NbSe2
Ab initio study of the Van der Waals Superconductor NbSe2
By applying the Coherent-Potential Approximation (CPA) within the Korringa-Kohn-Rostoker (KKR) method, electronic properties such as the electronic density of states, band structure, and transport properties can be calculated for disordered materials. The CPA in KKR has been successfully used to st...
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Personal Name(s): | Hemmati, Mohammad (Corresponding author) |
---|---|
Rüssmann, Philipp / Blügel, Stefan | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien; PGI-1 |
Imprint: |
2023
|
DOI: |
10.34734/FZJ-2024-00246 |
Conference: | 3rd ML4Q Students & Postdocs Retreat, Eitorf (Germany), 2023-07-04 - 2023-07-05 |
Document Type: |
Poster |
Research Program: |
EXC 2004: Materie und Licht für Quanteninformation (ML4Q) Topological Matter |
Subject (ZB): | |
Link: |
OpenAccess |
Publikationsportal JuSER |
By applying the Coherent-Potential Approximation (CPA) within the Korringa-Kohn-Rostoker (KKR) method, electronic properties such as the electronic density of states, band structure, and transport properties can be calculated for disordered materials. The CPA in KKR has been successfully used to study a wide range of disordered systems, including alloys, amorphous solids, and materials with impurities or defects.We utilize the Coherent-Potential Approximation (CPA) within the BdG-KKR algorithm to investigate the impact of impurities on the superconducting properties of a crystal system. The incorporation of the CPA in the context of superconductivity closely resembles its application in the normal state scenario, albeit with the doubling of matrix dimensions due to the presence of quasiparticles' particle-hole symmetry. |