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A much simpler interpolation scheme for approximating the electronic band structure, especially for the d-bands of transition metals, is the parameterized tight-binding method conceived in 1954 by John Clarke Slater and George Fred Koster, [1] sometimes referred to as the SK tight-binding method. With the SK tight-binding method, electronic ...
The Hubbard model introduces short-range interactions between electrons to the tight-binding model, which only includes kinetic energy (a "hopping" term) and interactions with the atoms of the lattice (an "atomic" potential). When the interaction between electrons is strong, the behavior of the Hubbard model can be qualitatively different from ...
In recent physics literature, a large majority of the electronic structures and band plots are calculated using density-functional theory (DFT), which is not a model but rather a theory, i.e., a microscopic first-principles theory of condensed matter physics that tries to cope with the electron-electron many-body problem via the introduction of ...
The Tight-Binding Method; ... Cohesive Energy; ... The book is also recommended in other textbooks on condensed matter physics, ...
In condensed matter physics, Anderson localization (also known as strong localization) [1] is the absence of diffusion of waves in a disordered medium. This phenomenon is named after the American physicist P. W. Anderson, who was the first to suggest that electron localization is possible in a lattice potential, provided that the degree of randomness (disorder) in the lattice is sufficiently ...
The energy is a function of a sum of functions of the separation between an atom and its neighbors. In the original model, by Murray Daw and Mike Baskes, [1] the latter functions represent the electron density. The EAM is related to the second moment approximation to tight binding theory, also known as the
At = this is equivalent to the famous fractal energy spectrum known as the Hofstadter's butterfly, which describes the motion of an electron in a two-dimensional lattice under a magnetic field. [ 2 ] [ 4 ] In the Aubry–André model the magnetic field strength maps onto the parameter β {\displaystyle \beta } .
Many density-functional tight-binding methods, such as CP2K, DFTB+, Fireball, [2] and Hotbit, are built based on the Harris energy functional. In these methods, one often does not perform self-consistent Kohn–Sham DFT calculations and the total energy is estimated using the Harris energy functional, although a version of the Harris functional ...