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Jellium
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Jellium
Jellium, also known as the uniform electron gas (UEG) or homogeneous electron gas (HEG), is a quantum mechanical model of interacting free electrons in a solid where the complementary positive charges are not atomic nuclei but instead an idealized background of uniform positive charge density. This model allows one to focus on the effects in solids that occur due to the quantum nature of electrons and their mutual repulsive interactions (due to like charge) without explicit introduction of the atomic lattice and structure making up a real material. Jellium is often used in solid-state physics as a simple model of delocalized electrons in a metal, where it can qualitatively reproduce features of real metals such as screening, plasmons, Wigner crystallization and Friedel oscillations.
At zero temperature, the properties of jellium depend solely upon the constant electronic density. This property lends it to a treatment within density functional theory; the formalism itself provides the basis for the local-density approximation to the exchange-correlation energy density functional.
The term jellium was coined by Conyers Herring in 1952, alluding to the "positive jelly" background, and the typical metallic behavior it displays.
The jellium model treats the electron-electron coupling rigorously. The artificial and structureless background charge interacts electrostatically with itself and the electrons. The jellium Hamiltonian for N electrons confined within a volume of space Ω, and with electronic density ρ(r) and (constant) background charge density n(R) = N/Ω is
where
Hback is a constant and, in the limit of an infinite volume, divergent along with Hel-back. The divergence is canceled by a term from the electron-electron coupling: the background interactions cancel and the system is dominated by the kinetic energy and coupling of the electrons. Such analysis is done in Fourier space; the interaction terms of the Hamiltonian which remain correspond to the Fourier expansion of the electron coupling for which q ≠ 0.
The traditional way to study the electron gas is to start with non-interacting electrons which are governed only by the kinetic energy part of the Hamiltonian, also called a Fermi gas. The kinetic energy per electron is given by
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Jellium
Jellium, also known as the uniform electron gas (UEG) or homogeneous electron gas (HEG), is a quantum mechanical model of interacting free electrons in a solid where the complementary positive charges are not atomic nuclei but instead an idealized background of uniform positive charge density. This model allows one to focus on the effects in solids that occur due to the quantum nature of electrons and their mutual repulsive interactions (due to like charge) without explicit introduction of the atomic lattice and structure making up a real material. Jellium is often used in solid-state physics as a simple model of delocalized electrons in a metal, where it can qualitatively reproduce features of real metals such as screening, plasmons, Wigner crystallization and Friedel oscillations.
At zero temperature, the properties of jellium depend solely upon the constant electronic density. This property lends it to a treatment within density functional theory; the formalism itself provides the basis for the local-density approximation to the exchange-correlation energy density functional.
The term jellium was coined by Conyers Herring in 1952, alluding to the "positive jelly" background, and the typical metallic behavior it displays.
The jellium model treats the electron-electron coupling rigorously. The artificial and structureless background charge interacts electrostatically with itself and the electrons. The jellium Hamiltonian for N electrons confined within a volume of space Ω, and with electronic density ρ(r) and (constant) background charge density n(R) = N/Ω is
where
Hback is a constant and, in the limit of an infinite volume, divergent along with Hel-back. The divergence is canceled by a term from the electron-electron coupling: the background interactions cancel and the system is dominated by the kinetic energy and coupling of the electrons. Such analysis is done in Fourier space; the interaction terms of the Hamiltonian which remain correspond to the Fourier expansion of the electron coupling for which q ≠ 0.
The traditional way to study the electron gas is to start with non-interacting electrons which are governed only by the kinetic energy part of the Hamiltonian, also called a Fermi gas. The kinetic energy per electron is given by