Work

Ab initiodownfolding for electron-phonon-coupled systems: Constrained density-functional perturbation theory

Year: 2015

Type: article

Abstract: The problem of electron-phonon interactions in strongly correlated systems is addressed by a new method which establishes a rigorous link between \textit{ab initio} density functional perturbation theory and low-energy model Hamiltonians. This allows the construction of model Hamiltonians for strongly correlated systems in a predictable and quantitative way, with respect to material oriented applications, especially where both electron-electron and electron-phonon couplings have the same magnitude. This could lead either to a competition or a cooperation between the two interactions, and stabilize interesting phases such as superconductivity in fullerenes.

Source: Physical Review B

DOI: 10.1103/physrevb.92.245108

Authors: Yusuke Nomura, Ryotaro Arita

Institutions: The University of Tokyo, Tohoku University, Japan Science and Technology Agency, RIKEN, RIKEN Center for Emergent Matter Science

Language: English

Topic: Physics of Superconductivity and Magnetism

Subfield: Condensed Matter Physics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funder: Japan Society for the Promotion of Science

Award: G4294247872