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Dispersion relation for the 2D nearly free electron model as a function of the underlying crystalline structure. The nearly free electron model is a modification of the free-electron gas model which includes a weak periodic perturbation meant to model the interaction between the conduction electrons and the ions in a crystalline solid.
The KKR method does have a few “bills” to pay, e.g., (1) the calculation of KKR structure constants, the empty lattice propagators, must be carried out by the Ewald's sums for each energy and k-point, and (2) the KKR functions have a pole structure on the real energy axis, which requires a much larger number of k points for the Brillouin ...
[1]: 161 The first one is the nearly free electron model, in which the electrons are assumed to move almost freely within the material. In this model, the electronic states resemble free electron plane waves, and are only slightly perturbed by the crystal lattice. This model explains the origin of the electronic dispersion relation, but the ...
In solid-state physics, the free electron model is a quantum mechanical model for the behaviour of charge carriers in a metallic solid. It was developed in 1927, [1] principally by Arnold Sommerfeld, who combined the classical Drude model with quantum mechanical Fermi–Dirac statistics and hence it is also known as the Drude–Sommerfeld model.
In condensed matter physics, the independent electron approximation is a simplification used in complex systems, consisting of many electrons, that approximates the electron–electron interaction in crystals as null. It is a requirement for both the free electron model and the nearly-free electron model, where it is used alongside Bloch's ...
Time-dependent density functional theory Thomas–Fermi model Orbital-free density functional theory Linearized augmented-plane-wave method Projector augmented wave method: Electronic band structure; Nearly free electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation GW approximation
Density functional theory; Time-dependent density functional theory Thomas–Fermi model Orbital-free density functional theory Linearized augmented-plane-wave method Projector augmented wave method: Electronic band structure; Nearly free electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation ...
Density functional theory; Time-dependent density functional theory Thomas–Fermi model Orbital-free density functional theory Linearized augmented-plane-wave method Projector augmented wave method: Electronic band structure; Nearly free electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation ...