Intermolecular forceAn intermolecular force (IMF) (or secondary force) is the force that mediates interaction between molecules, including the electromagnetic forces of attraction or repulsion which act between atoms and other types of neighbouring particles, e.g. atoms or ions. Intermolecular forces are weak relative to intramolecular forces – the forces which hold a molecule together. For example, the covalent bond, involving sharing electron pairs between atoms, is much stronger than the forces present between neighboring molecules.
Direct and indirect band gapsIn semiconductor physics, the band gap of a semiconductor can be of two basic types, a direct band gap or an indirect band gap. The minimal-energy state in the conduction band and the maximal-energy state in the valence band are each characterized by a certain crystal momentum (k-vector) in the Brillouin zone. If the k-vectors are different, the material has an "indirect gap". The band gap is called "direct" if the crystal momentum of electrons and holes is the same in both the conduction band and the valence band; an electron can directly emit a photon.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Wide-bandgap semiconductorWide-bandgap semiconductors (also known as WBG semiconductors or WBGSs) are semiconductor materials which have a larger band gap than conventional semiconductors. Conventional semiconductors like silicon have a bandgap in the range of 0.6 – 1.5 electronvolt (eV), whereas wide-bandgap materials have bandgaps in the range above 2 eV. Generally, wide-bandgap semiconductors have electronic properties which fall in between those of conventional semiconductors and insulators.
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.
