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Revisiting the Fermi Surface in Density Functional Theory

Das, Mukunda P; Green, Frederick


The Fermi surface is an abstract object in the reciprocal space of a crystal lattice, enclosing the set of all those electronic band states that are filled according to the Pauli principle. Its topology is dictated by the underlying lattice structure and its volume is the carrier density in the material. The Fermi surface is central to predictions of thermal, electrical, magnetic, optical and superconducting properties in metallic systems. Density functional theory is a first-principles method...[Show more]

CollectionsANU Research Publications
Date published: 2016
Type: Journal article
Source: Journal of Physics: Conference Series (Print)
DOI: 10.1088/1742-6596/726/1/012001
Access Rights: Open Access


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