Strongly correlated materialStrongly correlated materials are a wide class of compounds that include insulators and electronic materials, and show unusual (often technologically useful) electronic and magnetic properties, such as metal-insulator transitions, heavy fermion behavior, half-metallicity, and spin-charge separation. The essential feature that defines these materials is that the behavior of their electrons or spinons cannot be described effectively in terms of non-interacting entities.
Electronic band structureIn 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.
SemiconductorA semiconductor is a material which has an electrical conductivity value falling between that of a conductor, such as copper, and an insulator, such as glass. Its resistivity falls as its temperature rises; metals behave in the opposite way. Its conducting properties may be altered in useful ways by introducing impurities ("doping") into the crystal structure. When two differently doped regions exist in the same crystal, a semiconductor junction is created.
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Topological insulatorA topological insulator is a material whose interior behaves as an electrical insulator while its surface behaves as an electrical conductor, meaning that electrons can only move along the surface of the material. A topological insulator is an insulator for the same reason a "trivial" (ordinary) insulator is: there exists an energy gap between the valence and conduction bands of the material. But in a topological insulator, these bands are, in an informal sense, "twisted", relative to a trivial insulator.
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Topological defectTopological defects or solitons are irregularities or disruptions that occur within continuous fields or ordered states of matter. These defects, which can take various forms such as points, lines, or surfaces, are characterized by their stability and the fact that they cannot be 'smoothed out' or removed through continuous transformations of the field or material. They play a significant role in various areas of physics, including condensed matter physics, cosmology, and quantum field theory, and can have profound effects on the properties and behavior of the systems in which they occur.
Topological groupIn mathematics, topological groups are logically the combination of groups and topological spaces, i.e. they are groups and topological spaces at the same time, such that the continuity condition for the group operations connects these two structures together and consequently they are not independent from each other. Topological groups have been studied extensively in the period of 1925 to 1940. Haar and Weil (respectively in 1933 and 1940) showed that the integrals and Fourier series are special cases of a very wide class of topological groups.
Oxidation stateIn chemistry, the oxidation state, or oxidation number, is the hypothetical charge of an atom if all of its bonds to other atoms were fully ionic. It describes the degree of oxidation (loss of electrons) of an atom in a chemical compound. Conceptually, the oxidation state may be positive, negative or zero. While fully ionic bonds are not found in nature, many bonds exhibit strong ionicity, making oxidation state a useful predictor of charge. The oxidation state of an atom does not represent the "real" charge on that atom, or any other actual atomic property.
Topological quantum numberIn physics, a topological quantum number (also called topological charge) is any quantity, in a physical theory, that takes on only one of a discrete set of values, due to topological considerations. Most commonly, topological quantum numbers are topological invariants associated with topological defects or soliton-type solutions of some set of differential equations modeling a physical system, as the solitons themselves owe their stability to topological considerations.
Mott insulatorMott insulators are a class of materials that are expected to conduct electricity according to conventional band theories, but turn out to be insulators (particularly at low temperatures). These insulators fail to be correctly described by band theories of solids due to their strong electron–electron interactions, which are not considered in conventional band theory. A Mott transition is a transition from a metal to an insulator, driven by the strong interactions between electrons.
Topological vector spaceIn mathematics, a topological vector space (also called a linear topological space and commonly abbreviated TVS or t.v.s.) is one of the basic structures investigated in functional analysis. A topological vector space is a vector space that is also a topological space with the property that the vector space operations (vector addition and scalar multiplication) are also continuous functions. Such a topology is called a and every topological vector space has a uniform topological structure, allowing a notion of uniform convergence and completeness.
Electric chargeElectric charge is the physical property of matter that causes it to experience a force when placed in an electromagnetic field. Electric charge can be positive or negative (commonly carried by protons and electrons respectively, by convention). Like charges repel each other and unlike charges attract each other. An object with no net charge is referred to as electrically neutral. Early knowledge of how charged substances interact is now called classical electrodynamics, and is still accurate for problems that do not require consideration of quantum effects.
Molecular orbitalIn chemistry, a molecular orbital (ɒrbədl) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary level, they are used to describe the region of space in which a function has a significant amplitude.
Topological manifoldIn topology, a branch of mathematics, a topological manifold is a topological space that locally resembles real n-dimensional Euclidean space. Topological manifolds are an important class of topological spaces, with applications throughout mathematics. All manifolds are topological manifolds by definition. Other types of manifolds are formed by adding structure to a topological manifold (e.g. differentiable manifolds are topological manifolds equipped with a differential structure).
Quantum Hall effectThe quantum Hall effect (or integer quantum Hall effect) is a quantized version of the Hall effect which is observed in two-dimensional electron systems subjected to low temperatures and strong magnetic fields, in which the Hall resistance Rxy exhibits steps that take on the quantized values where VHall is the Hall voltage, Ichannel is the channel current, e is the elementary charge and h is Planck's constant. The divisor ν can take on either integer (ν = 1, 2, 3,...) or fractional (ν = 1/3, 2/5, 3/7, 2/3, 3/5, 1/5, 2/9, 3/13, 5/2, 12/5,.
Charge carrierIn physics, a charge carrier is a particle or quasiparticle that is free to move, carrying an electric charge, especially the particles that carry electric charges in electrical conductors. Examples are electrons, ions and holes. The term is used most commonly in solid state physics. In a conducting medium, an electric field can exert force on these free particles, causing a net motion of the particles through the medium; this is what constitutes an electric current.
Molecular orbital theoryIn chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms.
Work (thermodynamics)Thermodynamic work is one of the principal processes by which a thermodynamic system can interact with its surroundings and exchange energy. This exchange results in externally measurable macroscopic forces on the system's surroundings, which can cause mechanical work, to lift a weight, for example, or cause changes in electromagnetic, or gravitational variables. The surroundings also can perform work on a thermodynamic system, which is measured by an opposite sign convention.
Charge densityIn electromagnetism, charge density is the amount of electric charge per unit length, surface area, or volume. Volume charge density (symbolized by the Greek letter ρ) is the quantity of charge per unit volume, measured in the SI system in coulombs per cubic meter (C⋅m−3), at any point in a volume. Surface charge density (σ) is the quantity of charge per unit area, measured in coulombs per square meter (C⋅m−2), at any point on a surface charge distribution on a two dimensional surface.
