Publication
Automated mixing of maximally localized Wannier functions into target manifolds
Related concepts (31)
Electronic band structure
In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules.
Localization (commutative algebra)
In commutative algebra and algebraic geometry, localization is a formal way to introduce the "denominators" to a given ring or module. That is, it introduces a new ring/module out of an existing ring/module R, so that it consists of fractions such that the denominator s belongs to a given subset S of R. If S is the set of the non-zero elements of an integral domain, then the localization is the field of fractions: this case generalizes the construction of the field of rational numbers from the ring of integers.
Valence and conduction bands
In solid-state physics, the valence band and conduction band are the bands closest to the Fermi level, and thus determine the electrical conductivity of the solid. In nonmetals, the valence band is the highest range of electron energies in which electrons are normally present at absolute zero temperature, while the conduction band is the lowest range of vacant electronic states. On a graph of the electronic band structure of a semiconducting material, the valence band is located below the Fermi level, while the conduction band is located above it.
Local ring
In mathematics, more specifically in ring theory, local rings are certain rings that are comparatively simple, and serve to describe what is called "local behaviour", in the sense of functions defined on varieties or manifolds, or of algebraic number fields examined at a particular place, or prime. Local algebra is the branch of commutative algebra that studies commutative local rings and their modules. In practice, a commutative local ring often arises as the result of the localization of a ring at a prime ideal.
Discrete valuation ring
In abstract algebra, a discrete valuation ring (DVR) is a principal ideal domain (PID) with exactly one non-zero maximal ideal. This means a DVR is an integral domain R which satisfies any one of the following equivalent conditions: R is a local principal ideal domain, and not a field. R is a valuation ring with a value group isomorphic to the integers under addition. R is a local Dedekind domain and not a field. R is a Noetherian local domain whose maximal ideal is principal, and not a field.
Noncommutative ring
In mathematics, a noncommutative ring is a ring whose multiplication is not commutative; that is, there exist a and b in the ring such that ab and ba are different. Equivalently, a noncommutative ring is a ring that is not a commutative ring. Noncommutative algebra is the part of ring theory devoted to study of properties of the noncommutative rings, including the properties that apply also to commutative rings. Sometimes the term noncommutative ring is used instead of ring to refer to an unspecified ring which is not necessarily commutative, and hence may be commutative.
Valuation ring
In abstract algebra, a valuation ring is an integral domain D such that for every element x of its field of fractions F, at least one of x or x−1 belongs to D. Given a field F, if D is a subring of F such that either x or x−1 belongs to D for every nonzero x in F, then D is said to be a valuation ring for the field F or a place of F. Since F in this case is indeed the field of fractions of D, a valuation ring for a field is a valuation ring.
Tight binding
In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the LCAO method (linear combination of atomic orbitals method) used in chemistry. Tight-binding models are applied to a wide variety of solids.
Commutative algebra
Commutative algebra, first known as ideal theory, is the branch of algebra that studies commutative rings, their ideals, and modules over such rings. Both algebraic geometry and algebraic number theory build on commutative algebra. Prominent examples of commutative rings include polynomial rings; rings of algebraic integers, including the ordinary integers ; and p-adic integers. Commutative algebra is the main technical tool in the local study of schemes.
Wannier function
The Wannier functions are a complete set of orthogonal functions used in solid-state physics. They were introduced by Gregory Wannier in 1937. Wannier functions are the localized molecular orbitals of crystalline systems. The Wannier functions for different lattice sites in a crystal are orthogonal, allowing a convenient basis for the expansion of electron states in certain regimes. Wannier functions have found widespread use, for example, in the analysis of binding forces acting on electrons; the existence of exponentially localized Wannier functions in insulators was proved in 2006.