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.
