LDA+DMFT approach to electronic structure of sodium metal

Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 2019. LDA+DMFT approach to electronic structure of sodium metal. Physical Review B 100 (11) , 115156. 10.1103/PhysRevB.100.115156

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Abstract

Based on local density approximation plus dynamical mean-field theory (LDA+DMFT) calculations, we revisit the long-standing quasiparticle band narrowing problem of sodium metal. Using an on-site Coulomb interaction U derived from angle-resolved photoemission spectroscopy mass enhancement, we can describe various properties of this weakly correlated electron system. Intrinsic self-energy corrections lead to a Landau-Fermi liquid state with many-particle coherence and dynamical spectral weight transfer relevant to electronic structure and scattering rates of alkali metals.

Item Type:	Article
Date Type:	Published Online
Status:	Published
Schools:	Advanced Research Computing @ Cardiff (ARCCA) Chemistry
Publisher:	American Physical Society
ISSN:	2469-9950
Date of First Compliant Deposit:	24 October 2019
Date of Acceptance:	27 September 2019
Last Modified:	05 Aug 2024 15:08
URI:	https://orca.cardiff.ac.uk/id/eprint/126291

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