Periodic Potential
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Periodic Potential
In quantum mechanics, the particle in a one-dimensional lattice is a problem that occurs in the model of a periodic crystal lattice. The potential is caused by ions in the periodic structure of the crystal creating an electromagnetic field so electrons are subject to a regular potential inside the lattice. It is a generalization of the free electron model, which assumes zero potential inside the lattice. Problem definition When talking about solid materials, the discussion is mainly around crystals – periodic lattices. Here we will discuss a 1D lattice of positive ions. Assuming the spacing between two ions is , the potential in the lattice will look something like this: The mathematical representation of the potential is a periodic function with a period . According to Bloch's theorem, the wavefunction solution of the Schrödinger equation when the potential is periodic, can be written as: \psi (x) = e^ u(x), where is a periodic function which satisfies . It is the Bloch ...
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Quantum Mechanics
Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales. Most theories in classical physics can be derived from quantum mechanics as an approximation valid at large (macroscopic) scale. Quantum mechanics differs from classical physics in that energy, momentum, angular momentum, and other quantities of a bound system are restricted to discrete values ( quantization); objects have characteristics of both particles and waves (wave–particle duality); and there are limits to ...
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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 ...
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The Wolfram Demonstrations Project
The Wolfram Demonstrations Project is an organized, open-source collection of small (or medium-size) interactive programs called Demonstrations, which are meant to visually and interactively represent ideas from a range of fields. It is hosted by Wolfram Research, whose stated goal is to bring computational exploration to a large population. At its launch, it contained 1300 demonstrations but has grown to over 10,000. The site won a Parents' Choice Award in 2008. Technology The Demonstrations run in '' Mathematica'' 6 or above and in '' Wolfram CDF Player'' which is a free modified version of Wolfram's ''Mathematica'' and available for Windows, Linux and macOS and can operate as a web browser plugin. They typically consist of a very direct user interface to a graphic or visualization, which dynamically recomputes in response to user actions such as moving a slider, clicking a button, or dragging a piece of graphics. Each Demonstration also has a brief description of the c ...
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Mathematica
Wolfram Mathematica is a software system with built-in libraries for several areas of technical computing that allow machine learning, statistics, symbolic computation, data manipulation, network analysis, time series analysis, NLP, optimization, plotting functions and various types of data, implementation of algorithms, creation of user interfaces, and interfacing with programs written in other programming languages. It was conceived by Stephen Wolfram, and is developed by Wolfram Research of Champaign, Illinois. The Wolfram Language is the programming language used in ''Mathematica''. Mathematica 1.0 was released on June 23, 1988 in Champaign, Illinois and Santa Clara, California. __TOC__ Notebook interface Wolfram Mathematica (called ''Mathematica'' by some of its users) is split into two parts: the kernel and the front end. The kernel interprets expressions (Wolfram Language code) and returns result expressions, which can then be displayed by the front end. The origin ...
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Mathieu Function
In mathematics, Mathieu functions, sometimes called angular Mathieu functions, are solutions of Mathieu's differential equation : \frac + (a - 2q\cos(2x))y = 0, where a and q are parameters. They were first introduced by Émile Léonard Mathieu, who encountered them while studying vibrating elliptical drumheads.Morse and Feshbach (1953).Brimacombe, Corless and Zamir (2021) They have applications in many fields of the physical sciences, such as optics, quantum mechanics, and general relativity. They tend to occur in problems involving periodic motion, or in the analysis of partial differential equation boundary value problems possessing elliptic symmetry.Gutiérrez-Vega (2015). Definition Mathieu functions In some usages, ''Mathieu function'' refers to solutions of the Mathieu differential equation for arbitrary values of a and q. When no confusion can arise, other authors use the term to refer specifically to \pi- or 2\pi-periodic solutions, which exist only for special val ...
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Nearly Free Electron Model
In solid-state physics, the nearly free electron model (or NFE model) or quasi-free electron model is a quantum mechanical model of physical properties of electrons that can move almost freely through the crystal lattice of a solid. The model is closely related to the more conceptual empty lattice approximation. The model enables understanding and calculation of the electronic band structures, especially of metals. This model is an immediate improvement of the free electron model, in which the metal was considered as a non-interacting electron gas and the ions were neglected completely. Mathematical formulation The nearly free electron model is a modification of the free-electron gas model which includes a ''weak'' periodic perturbation meant to model the interaction between the conduction electrons and the ions in a crystalline solid. This model, like the free-electron model, does not take into account electron–electron interactions; that is, the independent electron ...
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Empty Lattice Approximation
The empty lattice approximation is a theoretical electronic band structure model in which the potential is ''periodic'' and ''weak'' (close to constant). One may also consider an empty irregular lattice, in which the potential is not even periodic.Physics Lecture Notes. P.Dirac, Feynman,R.,1968. Internet, Amazon,25.03.2014. The empty lattice approximation describes a number of properties of energy dispersion relations of non-interacting free electrons that move through a crystal lattice. The energy of the electrons in the "empty lattice" is the same as the energy of free electrons. The model is useful because it clearly illustrates a number of the sometimes very complex features of energy dispersion relations in solids which are fundamental to all electronic band structures. __TOC__ Scattering and periodicity The periodic potential of the lattice in this free electron model must be weak because otherwise the electrons wouldn't be free. The strength of the scattering mainly depe ...
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Free Electron Model
In solid-state physics, the free electron model is a quantum mechanical model for the behaviour of charge carriers in a metallic solid. It was developed in 1927, principally by Arnold Sommerfeld, who combined the classical Drude model with quantum mechanical Fermi–Dirac statistics and hence it is also known as the Drude–Sommerfeld model. Given its simplicity, it is surprisingly successful in explaining many experimental phenomena, especially * the Wiedemann–Franz law which relates electrical conductivity and thermal conductivity; * the temperature dependence of the electron heat capacity; * the shape of the electronic density of states; * the range of binding energy values; * electrical conductivities; * the Seebeck coefficient of the thermoelectric effect; * thermal electron emission and field electron emission from bulk metals. The free electron model solved many of the inconsistencies related to the Drude model and gave insight into several other properties of metals. ...
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Partial Fraction Decomposition
In algebra, the partial fraction decomposition or partial fraction expansion of a rational fraction (that is, a fraction such that the numerator and the denominator are both polynomials) is an operation that consists of expressing the fraction as a sum of a polynomial (possibly zero) and one or several fractions with a simpler denominator. The importance of the partial fraction decomposition lies in the fact that it provides algorithms for various computations with rational functions, including the explicit computation of antiderivatives, Taylor series expansions, inverse Z-transforms, and inverse Laplace transforms. The concept was discovered independently in 1702 by both Johann Bernoulli and Gottfried Leibniz. In symbols, the ''partial fraction decomposition'' of a rational fraction of the form \frac, where and are polynomials, is its expression as \frac=p(x) + \sum_j \frac where is a polynomial, and, for each , the denominator is a power of an irreducible polynomial ...
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Band Gap
In solid-state physics, a band gap, also called an energy gap, is an energy range in a solid where no electronic states can exist. In graphs of the electronic band structure of solids, the band gap generally refers to the energy difference (in electron volts) between the top of the valence band and the bottom of the conduction band in insulators and semiconductors. It is the energy required to promote a valence electron bound to an atom to become a conduction electron, which is free to move within the crystal lattice and serve as a charge carrier to conduct electric current. It is closely related to the HOMO/LUMO gap in chemistry. If the valence band is completely full and the conduction band is completely empty, then electrons cannot move within the solid because there are no available states. If the electrons are not free to move within the crystal lattice, then there is no generated current due to no net charge carrier mobility. However, if some electrons transfer from th ...
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Dispersion Relation
In the physical sciences and electrical engineering, dispersion relations describe the effect of dispersion on the properties of waves in a medium. A dispersion relation relates the wavelength or wavenumber of a wave to its frequency. Given the dispersion relation, one can calculate the phase velocity and group velocity of waves in the medium, as a function of frequency. In addition to the geometry-dependent and material-dependent dispersion relations, the overarching Kramers–Kronig relations describe the frequency dependence of wave propagation and attenuation. Dispersion may be caused either by geometric boundary conditions (waveguides, shallow water) or by interaction of the waves with the transmitting medium. Elementary particles, considered as matter waves, have a nontrivial dispersion relation even in the absence of geometric constraints and other media. In the presence of dispersion, wave velocity is no longer uniquely defined, giving rise to the distinction of phase ...
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