Poster (Invited)

FZJ-2024-00246

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Ab initio study of the Van der Waals Superconductor NbSe2

Hemmati, M. (Corresponding author)FZJ* ; Rüssmann, P.FZJ* ; Blügel, S.FZJ*

2023

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Please use a persistent id in citations: doi:10.34734/FZJ-2024-00246

Abstract: 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.

Keyword(s): Condensed Matter Physics (2nd) ; Magnetism (2nd)

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)

Research Program(s):

1. 5211 - Topological Matter (POF4-521) (POF4-521)
2. DFG project 390534769 - EXC 2004: Materie und Licht für Quanteninformation (ML4Q) (390534769) (390534769)

Appears in the scientific report 2023

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Database coverage:

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