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Multiple Scattering Theory
Multiple scattering theory (MST) is the mathematical formalism that is used to describe the propagation of a wave through a collection of scatterers. Examples are acoustical waves traveling through porous media, light scattering from water droplets in a cloud, or x-rays scattering from a crystal. A more recent application is to the propagation of quantum matter waves like electrons or neutrons through a solid. As pointed out by Jan Korringa, the origin of this theory can be traced back to an 1892 paper by Lord Rayleigh. An important mathematical formulation of the theory was made by Paul Peter Ewald. Korringa and Ewald acknowledged the influence on their work of the 1903 doctoral dissertation of Nikolai Kasterin, portions of which were published in German in the Proceedings of the Royal Academy of Sciences in Amsterdam under the sponsorship of Heike Kamerlingh Onnes. The MST formalism is widely used for electronic structure calculations as well as diffraction theory, and i ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mathematical
Mathematics is an area of knowledge that includes the topics of numbers, formulas and related structures, shapes and the spaces in which they are contained, and quantities and their changes. These topics are represented in modern mathematics with the major subdisciplines of number theory, algebra, geometry, and analysis, respectively. There is no general consensus among mathematicians about a common definition for their academic discipline. Most mathematical activity involves the discovery of properties of abstract objects and the use of pure reason to prove them. These objects consist of either abstractions from nature orin modern mathematicsentities that are stipulated to have certain properties, called axioms. A ''proof'' consists of a succession of applications of deductive rules to already established results. These results include previously proved theorems, axioms, andin case of abstraction from naturesome basic properties that are considered true starting points of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Condensed Matter Physics
Condensed matter physics is the field of physics that deals with the macroscopic and microscopic physical properties of matter, especially the solid and liquid phases which arise from electromagnetic forces between atoms. More generally, the subject deals with "condensed" phases of matter: systems of many constituents with strong interactions between them. More exotic condensed phases include the superconducting phase exhibited by certain materials at low temperature, the ferromagnetic and antiferromagnetic phases of spins on crystal lattices of atoms, and the Bose–Einstein condensate found in ultracold atomic systems. Condensed matter physicists seek to understand the behavior of these phases by experiments to measure various material properties, and by applying the physical laws of quantum mechanics, electromagnetism, statistical mechanics, and other theories to develop mathematical models. The diversity of systems and phenomena available for study makes condensed matter phy ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Surface States
Surface states are electronic states found at the surface of materials. They are formed due to the sharp transition from solid material that ends with a surface and are found only at the atom layers closest to the surface. The termination of a material with a surface leads to a change of the electronic band structure from the bulk material to the vacuum. In the weakened potential at the surface, new electronic states can be formed, so called surface states. Origin at condensed matter interfaces As stated by Bloch's theorem, eigenstates of the single-electron Schrödinger equation with a perfectly periodic potential, a crystal, are Bloch waves : \begin \Psi_ &=\mathrm^u_(\boldsymbol). \end Here u_(\boldsymbol) is a function with the same periodicity as the crystal, ''n'' is the band index and k is the wave number. The allowed wave numbers for a given potential are found by applying the usual Born–von Karman cyclic boundary conditions. The termination of a crystal, i.e. the f ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Korringa–Kohn–Rostoker Method
The Korringa–Kohn–Rostoker (KKR) method is used to calculate the electronic band structure of periodic solids. In the derivation of the method using multiple scattering theory by Jan Korringa and the derivation based on the Kohn and Rostoker variational method, the muffin-tin approximation was used. Later calculations are done with full potentials having no shape restrictions. Introduction All solids in their ideal state are single crystals with the atoms arranged on a periodic lattice. In condensed matter physics, the properties of such solids are explained on the basis of their electronic structure. This requires the solution of a complicated many-electron problem, but the density functional theory of Walter Kohn makes it possible to reduce it to the solution of a Schroedinger equation with a one-electron periodic potential. The problem is further simplified with the use of group theory and in particular Bloch's theorem, which leads to the result that the energy eigen ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Walter Kohn
Walter Kohn (; March 9, 1923 – April 19, 2016) was an Austrian-American theoretical physicist and theoretical chemist. He was awarded, with John Pople, the Nobel Prize in Chemistry in 1998. The award recognized their contributions to the understandings of the electronic properties of materials. In particular, Kohn played the leading role in the development of density functional theory, which made it possible to calculate quantum mechanical electronic structure by equations involving the electronic density (rather than the many-body wavefunction). This computational simplification led to more accurate calculations on complex systems as well as many new insights, and it has become an essential tool for materials science, condensed-phase physics, and the chemical physics of atoms and molecules. Early years in Canada Kohn arrived in England as part of the Kindertransport rescue operation immediately after the annexation of Austria by Hitler. He was from a Jewish family, and has wr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bloch Wave
In condensed matter physics, Bloch's theorem states that solutions to the Schrödinger equation in a periodic potential take the form of a plane wave modulated by a periodic function. The theorem is named after the physicist Felix Bloch, who discovered the theorem in 1929. Mathematically, they are written where \mathbf is position, \psi is the wave function, u is a periodic function with the same periodicity as the crystal, the wave vector \mathbf is the crystal momentum vector, e is Euler's number, and i is the imaginary unit. Functions of this form are known as Bloch functions or Bloch states, and serve as a suitable basis for the wave functions or states of electrons in crystalline solids. Named after Swiss physicist Felix Bloch, the description of electrons in terms of Bloch functions, termed Bloch electrons (or less often ''Bloch Waves''), underlies the concept of electronic band structures. These eigenstates are written with subscripts as \psi_, where n is a discret ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Born Approximation
Generally in scattering theory and in particular in quantum mechanics, the Born approximation consists of taking the incident field in place of the total field as the driving field at each point in the scatterer. The Born approximation is named after Max Born who proposed this approximation in early days of quantum theory development. It is the perturbation method applied to scattering by an extended body. It is accurate if the scattered field is small compared to the incident field on the scatterer. For example, the scattering of radio waves by a light styrofoam column can be approximated by assuming that each part of the plastic is polarized by the same electric field that would be present at that point without the column, and then calculating the scattering as a radiation integral over that polarization distribution. Born approximation to the Lippmann–Schwinger equation The Lippmann–Schwinger equation for the scattering state \vert\rangle with a momentum p and out-going ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Lippmann–Schwinger Equation
The Lippmann–Schwinger equation (named after Bernard Lippmann and Julian Schwinger) is one of the most used equations to describe particle collisions – or, more precisely, scattering – in quantum mechanics. It may be used in scattering of molecules, atoms, neutrons, photons or any other particles and is important mainly in atomic, molecular, and optical physics, nuclear physics and particle physics, but also for seismic scattering problems in geophysics. It relates the scattered wave function with the interaction that produces the scattering (the scattering potential) and therefore allows calculation of the relevant experimental parameters (scattering amplitude and cross sections). The most fundamental equation to describe any quantum phenomenon, including scattering, is the Schrödinger equation. In physical problems, this differential equation must be solved with the input of an additional set of initial and/or boundary conditions for the specific physical system ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Density Functional Theory
Density-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. DFT is among the most popular and versatile methods available in condensed-matter physics, computational physics, and computational chemistry. DFT has been very popular for calculations in solid-state physics since the 1970s. However, DFT was not considered accurate enough for calculations in quantum chemistry until the 1990s, when the approximations used in the theory were greatly refined to better model the exchange and correlation interactions ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Multiple Scattering
Scattering is a term used in physics to describe a wide range of physical processes where moving particles or radiation of some form, such as light or sound, are forced to deviate from a straight trajectory by localized non-uniformities (including particles and radiation) in the medium through which they pass. In conventional use, this also includes deviation of reflected radiation from the angle predicted by the law of reflection. Reflections of radiation that undergo scattering are often called ''diffuse reflections'' and unscattered reflections are called ''specular'' (mirror-like) reflections. Originally, the term was confined to light scattering (going back at least as far as Isaac Newton in the 17th century). As more "ray"-like phenomena were discovered, the idea of scattering was extended to them, so that William Herschel could refer to the scattering of "heat rays" (not then recognized as electromagnetic in nature) in 1800. John Tyndall, a pioneer in light scattering researc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Many-body Problem
The many-body problem is a general name for a vast category of physical problems pertaining to the properties of microscopic systems made of many interacting particles. ''Microscopic'' here implies that quantum mechanics has to be used to provide an accurate description of the system. ''Many'' can be anywhere from three to infinity (in the case of a practically infinite, homogeneous or periodic system, such as a crystal), although three- and four-body systems can be treated by specific means (respectively the Faddeev and Faddeev–Yakubovsky equations) and are thus sometimes separately classified as few-body systems. In general terms, while the underlying physical laws that govern the motion of each individual particle may (or may not) be simple, the study of the collection of particles can be extremely complex. In such a quantum system, the repeated interactions between particles create quantum correlations, or entanglement. As a consequence, the wave function of the system is ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
