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Electronic structure and lattice dynamics of 1T-VSe2:Origin of the three-dimensional charge density wave
Related concepts (33)
Current density
In electromagnetism, current density is the amount of charge per unit time that flows through a unit area of a chosen cross section. The current density vector is defined as a vector whose magnitude is the electric current per cross-sectional area at a given point in space, its direction being that of the motion of the positive charges at this point. In SI base units, the electric current density is measured in amperes per square metre. Assume that A (SI unit: m2) is a small surface centred at a given point M and orthogonal to the motion of the charges at M.
Spectroscopy
Spectroscopy is the field of study that measures and interprets the electromagnetic spectra that result from the interaction between electromagnetic radiation and matter as a function of the wavelength or frequency of the radiation. Matter waves and acoustic waves can also be considered forms of radiative energy, and recently gravitational waves have been associated with a spectral signature in the context of the Laser Interferometer Gravitational-Wave Observatory (LIGO).
Matter wave
Matter waves are a central part of the theory of quantum mechanics, being half of wave–particle duality. All matter exhibits wave-like behavior. For example, a beam of electrons can be diffracted just like a beam of light or a water wave. The concept that matter behaves like a wave was proposed by French physicist Louis de Broglie (dəˈbrɔɪ) in 1924, and so matter waves are also known as de Broglie waves.
Lattice QCD
Lattice QCD is a well-established non-perturbative approach to solving the quantum chromodynamics (QCD) theory of quarks and gluons. It is a lattice gauge theory formulated on a grid or lattice of points in space and time. When the size of the lattice is taken infinitely large and its sites infinitesimally close to each other, the continuum QCD is recovered. Analytic or perturbative solutions in low-energy QCD are hard or impossible to obtain due to the highly nonlinear nature of the strong force and the large coupling constant at low energies.
Electron density
Electron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron wavefunction which itself depends upon variables ( spatial and spin coordinates). Conversely, the density determines the wave function modulo up to a phase factor, providing the formal foundation of density functional theory.
Ultraviolet photoelectron spectroscopy
Ultraviolet photoelectron spectroscopy (UPS) refers to the measurement of kinetic energy spectra of photoelectrons emitted by molecules which have absorbed ultraviolet photons, in order to determine molecular orbital energies in the valence region. If Albert Einstein's photoelectric law is applied to a free molecule, the kinetic energy () of an emitted photoelectron is given by where h is Planck's constant, ν is the frequency of the ionizing light, and I is an ionization energy for the formation of a singly charged ion in either the ground state or an excited state.
Nuclear magnetic resonance spectroscopy
Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. This spectroscopy is based on the measurement of absorption of electromagnetic radiations in the radio frequency region from roughly 4 to 900 MHz. Absorption of radio waves in the presence of magnetic field is accompanied by a special type of nuclear transition, and for this reason, such type of spectroscopy is known as Nuclear Magnetic Resonance Spectroscopy.
Ultra-high vacuum
Ultra-high vacuum (UHV) is the vacuum regime characterised by pressures lower than about . UHV conditions are created by pumping the gas out of a UHV chamber. At these low pressures the mean free path of a gas molecule is greater than approximately 40 km, so the gas is in free molecular flow, and gas molecules will collide with the chamber walls many times before colliding with each other. Almost all molecular interactions therefore take place on various surfaces in the chamber. UHV conditions are integral to scientific research.
Chemical structure
A chemical structure of a molecule is a spatial arrangement of its atoms and their chemical bonds. Its determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together and can be represented using structural formulae and by molecular models; complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals.
Quantum chemistry
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.