• Medientyp: Elektronischer Konferenzbericht
  • Titel: Ab initio study of the Van der Waals Superconductor NbSe2
  • Beteiligte: Hemmati, Mohammad [Verfasser:in]; Rüssmann, Philipp [Verfasser:in]; Blügel, Stefan [Verfasser:in]
  • Erschienen: Forschungszentrum Jülich: JuSER (Juelich Shared Electronic Resources), 2023
  • Erschienen in: doi:10.34734/FZJ-2024-00246 ; 3rd ML4Q Students & Postdocs Retreat, Eitorf, RWTH Aachen, Germany, 2023-07-04 - 2023-07-05
  • Sprache: Englisch
  • DOI: https://doi.org/10.34734/FZJ-2024-00246
  • Entstehung:
  • Anmerkungen: Diese Datenquelle enthält auch Bestandsnachweise, die nicht zu einem Volltext führen.
  • Beschreibung: 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.
  • Zugangsstatus: Freier Zugang