Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
WaveIn physics, mathematics, engineering, and related fields, a wave is a propagating dynamic disturbance (change from equilibrium) of one or more quantities. Waves can be periodic, in which case those quantities oscillate repeatedly about an equilibrium (resting) value at some frequency. When the entire waveform moves in one direction, it is said to be a traveling wave; by contrast, a pair of superimposed periodic waves traveling in opposite directions makes a standing wave.
Ising modelThe Ising model (ˈiːzɪŋ) (or Lenz-Ising model or Ising-Lenz model), named after the physicists Ernst Ising and Wilhelm Lenz, is a mathematical model of ferromagnetism in statistical mechanics. The model consists of discrete variables that represent magnetic dipole moments of atomic "spins" that can be in one of two states (+1 or −1). The spins are arranged in a graph, usually a lattice (where the local structure repeats periodically in all directions), allowing each spin to interact with its neighbors.
Canonical quantizationIn physics, canonical quantization is a procedure for quantizing a classical theory, while attempting to preserve the formal structure, such as symmetries, of the classical theory, to the greatest extent possible. Historically, this was not quite Werner Heisenberg's route to obtaining quantum mechanics, but Paul Dirac introduced it in his 1926 doctoral thesis, the "method of classical analogy" for quantization, and detailed it in his classic text Principles of Quantum Mechanics.
Four-momentumIn special relativity, four-momentum (also called momentum–energy or momenergy) is the generalization of the classical three-dimensional momentum to four-dimensional spacetime. Momentum is a vector in three dimensions; similarly four-momentum is a four-vector in spacetime. The contravariant four-momentum of a particle with relativistic energy E and three-momentum p = (px, py, pz) = γmv, where v is the particle's three-velocity and γ the Lorentz factor, is The quantity mv of above is ordinary non-relativistic momentum of the particle and m its rest mass.
Polarization (physics)Polarization (also polarisation) is a property of transverse waves which specifies the geometrical orientation of the oscillations. In a transverse wave, the direction of the oscillation is perpendicular to the direction of motion of the wave. A simple example of a polarized transverse wave is vibrations traveling along a taut string (see image); for example, in a musical instrument like a guitar string. Depending on how the string is plucked, the vibrations can be in a vertical direction, horizontal direction, or at any angle perpendicular to the string.
X-ray spectroscopyX-ray spectroscopy is a general term for several spectroscopic techniques for characterization of materials by using x-ray radiation. When an electron from the inner shell of an atom is excited by the energy of a photon, it moves to a higher energy level. When it returns to the low energy level, the energy which it previously gained by the excitation is emitted as a photon which has a wavelength that is characteristic for the element (there could be several characteristic wavelengths per element).
Fractional quantum Hall effectThe fractional quantum Hall effect (FQHE) is a physical phenomenon in which the Hall conductance of 2-dimensional (2D) electrons shows precisely quantized plateaus at fractional values of . It is a property of a collective state in which electrons bind magnetic flux lines to make new quasiparticles, and excitations have a fractional elementary charge and possibly also fractional statistics.
Longitudinal waveLongitudinal waves are waves in which the vibration of the medium is parallel to the direction the wave travels and displacement of the medium is in the same (or opposite) direction of the wave propagation. Mechanical longitudinal waves are also called compressional or compression waves, because they produce compression and rarefaction when traveling through a medium, and pressure waves, because they produce increases and decreases in pressure.
Angular momentumIn physics, angular momentum (sometimes called moment of momentum or rotational momentum) is the rotational analog of linear momentum. It is an important physical quantity because it is a conserved quantity – the total angular momentum of a closed system remains constant. Angular momentum has both a direction and a magnitude, and both are conserved. Bicycles and motorcycles, flying discs, rifled bullets, and gyroscopes owe their useful properties to conservation of angular momentum.
Raman spectroscopyRaman spectroscopy (ˈrɑːmən) (named after Indian physicist C. V. Raman) is a spectroscopic technique typically used to determine vibrational modes of molecules, although rotational and other low-frequency modes of systems may also be observed. Raman spectroscopy is commonly used in chemistry to provide a structural fingerprint by which molecules can be identified. Raman spectroscopy relies upon inelastic scattering of photons, known as Raman scattering.
X-rayX-ray radiation, or, much less commonly, X-radiation, is a penetrating form of high-energy electromagnetic radiation. Most X-rays have a wavelength ranging from 10 nanometers to 10 picometers, corresponding to frequencies in the range 30 petahertz to 30 exahertz (3e16Hz to 3e19Hz) and energies in the range 124 keV to 145 eV, respectively. X-ray wavelengths are shorter than those of UV rays and typically longer than those of gamma rays.
