Born–von Karman Boundary Condition
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Born–von Karman Boundary Condition
Born–von Karman boundary conditions are periodic boundary conditions which impose the restriction that a wave function must be periodic on a certain Bravais lattice. Named after Max Born and Theodore von Kármán, this condition is often applied in solid state physics to model an ideal crystal. Born and von Karman published a series of articles in 1912 and 1913 that presented one of the first theories of specific heat of solids based on the crystalline hypothesis and included these boundary conditions. The condition can be stated as : \psi(\mathbf+N_i \mathbf_i)=\psi(\mathbf), \, where ''i'' runs over the dimensions of the Bravais lattice, the a''i'' are the primitive vectors of the lattice, and the ''Ni'' are integers (assuming the lattice has ''N'' cells where ''N=N1N2N3''). This definition can be used to show that : \psi(\mathbf+\mathbf)=\psi(\mathbf) for any lattice translation vector T such that: : \mathbf = \sum_i N_i \mathbf_i. Note, however, the Born–v ...
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Periodic Boundary Conditions
Periodic boundary conditions (PBCs) are a set of boundary conditions which are often chosen for approximating a large (infinite) system by using a small part called a ''unit cell''. PBCs are often used in computer simulations and mathematical models. The topology of two-dimensional PBC is equal to that of a ''world map'' of some video games; the geometry of the unit cell satisfies perfect two-dimensional tiling, and when an object passes through one side of the unit cell, it re-appears on the opposite side with the same velocity. In topological terms, the space made by two-dimensional PBCs can be thought of as being mapped onto a torus (compactification). The large systems approximated by PBCs consist of an infinite number of unit cells. In computer simulations, one of these is the original simulation box, and others are copies called ''images''. During the simulation, only the properties of the original simulation box need to be recorded and propagated. The ''minimum-image conventi ...
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Wave Function
A wave function in quantum physics is a mathematical description of the quantum state of an isolated quantum system. The wave function is a complex-valued probability amplitude, and the probabilities for the possible results of measurements made on the system can be derived from it. The most common symbols for a wave function are the Greek letters and (lower-case and capital psi, respectively). The wave function is a function of the degrees of freedom corresponding to some maximal set of commuting observables. Once such a representation is chosen, the wave function can be derived from the quantum state. For a given system, the choice of which commuting degrees of freedom to use is not unique, and correspondingly the domain of the wave function is also not unique. For instance, it may be taken to be a function of all the position coordinates of the particles over position space, or the momenta of all the particles over momentum space; the two are related by a Fourier tran ...
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Periodic Function
A periodic function is a function that repeats its values at regular intervals. For example, the trigonometric functions, which repeat at intervals of 2\pi radians, are periodic functions. Periodic functions are used throughout science to describe oscillations, waves, and other phenomena that exhibit periodicity. Any function that is not periodic is called aperiodic. Definition A function is said to be periodic if, for some nonzero constant , it is the case that :f(x+P) = f(x) for all values of in the domain. A nonzero constant for which this is the case is called a period of the function. If there exists a least positive constant with this property, it is called the fundamental period (also primitive period, basic period, or prime period.) Often, "the" period of a function is used to mean its fundamental period. A function with period will repeat on intervals of length , and these intervals are sometimes also referred to as periods of the function. Geometrically, a ...
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Bravais Lattice
In geometry and crystallography, a Bravais lattice, named after , is an infinite array of discrete points generated by a set of discrete translation operations described in three dimensional space by : \mathbf = n_1 \mathbf_1 + n_2 \mathbf_2 + n_3 \mathbf_3, where the ''ni'' are any integers, and a''i'' are ''primitive translation vectors'', or ''primitive vectors'', which lie in different directions (not necessarily mutually perpendicular) and span the lattice. The choice of primitive vectors for a given Bravais lattice is not unique. A fundamental aspect of any Bravais lattice is that, for any choice of direction, the lattice appears exactly the same from each of the discrete lattice points when looking in that chosen direction. The Bravais lattice concept is used to formally define a ''crystalline arrangement'' and its (finite) frontiers. A crystal is made up of one or more atoms, called the ''basis'' or ''motif'', at each lattice point. The ''basis'' may consist of atoms, mol ...
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Max Born
Max Born (; 11 December 1882 – 5 January 1970) was a German physicist and mathematician who was instrumental in the development of quantum mechanics. He also made contributions to solid-state physics and optics and supervised the work of a number of notable physicists in the 1920s and 1930s. Born won the 1954 Nobel Prize in Physics for his "fundamental research in quantum mechanics, especially in the statistical interpretation of the wave function". Born entered the University of Göttingen in 1904, where he met the three renowned mathematicians Felix Klein, David Hilbert, and Hermann Minkowski. He wrote his PhD thesis on the subject of "Stability of Elastica in a Plane and Space", winning the university's Philosophy Faculty Prize. In 1905, he began researching special relativity with Minkowski, and subsequently wrote his habilitation thesis on the Thomson model of the atom. A chance meeting with Fritz Haber in Berlin in 1918 led to discussion of how an ionic compound is ...
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Theodore Von Kármán
Theodore von Kármán ( hu, ( szőllőskislaki) Kármán Tódor ; born Tivadar Mihály Kármán; 11 May 18816 May 1963) was a Hungarian-American mathematician, aerospace engineer, and physicist who was active primarily in the fields of aeronautics and astronautics. He was responsible for many key advances in aerodynamics, notably on supersonic and hypersonic airflow characterization. He is regarded as an outstanding aerodynamic theoretician of the 20th century. Early life Theodore von Kármán was born into a Jewish family in Budapest, Austria-Hungary, as Kármán Tódor, the son of Helen (Kohn, hu, Kohn Ilka) and Mór Kármán. One of his ancestors was Rabbi Judah Loew ben Bezalel. He studied engineering at the city's Royal Joseph Technical University, known today as Budapest University of Technology and Economics. After graduating in 1902 he moved to the German Empire and joined Ludwig Prandtl at the University of Göttingen, where he received his doctorate in 1908. He taug ...
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Solid State Physics
Solid-state physics is the study of rigid matter, or solids, through methods such as quantum mechanics, crystallography, electromagnetism, and metallurgy. It is the largest branch of condensed matter physics. Solid-state physics studies how the large-scale properties of solid materials result from their atomic-scale properties. Thus, solid-state physics forms a theoretical basis of materials science. It also has direct applications, for example in the technology of transistors and semiconductors. Background Solid materials are formed from densely packed atoms, which interact intensely. These interactions produce the mechanical (e.g. hardness and elasticity), thermal, electrical, magnetic and optical properties of solids. Depending on the material involved and the conditions in which it was formed, the atoms may be arranged in a regular, geometric pattern ( crystalline solids, which include metals and ordinary water ice) or irregularly (an amorphous solid such as common ...
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Crystal
A crystal or crystalline solid is a solid material whose constituents (such as atoms, molecules, or ions) are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions. In addition, macroscopic single crystals are usually identifiable by their geometrical shape, consisting of flat faces with specific, characteristic orientations. The scientific study of crystals and crystal formation is known as crystallography. The process of crystal formation via mechanisms of crystal growth is called crystallization or solidification. The word ''crystal'' derives from the Ancient Greek word (), meaning both "ice" and "rock crystal", from (), "icy cold, frost". Examples of large crystals include snowflakes, diamonds, and table salt. Most inorganic solids are not crystals but polycrystals, i.e. many microscopic crystals fused together into a single solid. Polycrystals include most metals, rocks, ceramics, and ice. A third category of ...
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Diffraction
Diffraction is defined as the interference or bending of waves around the corners of an obstacle or through an aperture into the region of geometrical shadow of the obstacle/aperture. The diffracting object or aperture effectively becomes a secondary source of the propagating wave. Italian scientist Francesco Maria Grimaldi coined the word ''diffraction'' and was the first to record accurate observations of the phenomenon in 1660. In classical physics, the diffraction phenomenon is described by the Huygens–Fresnel principle that treats each point in a propagating wavefront as a collection of individual spherical wavelets. The characteristic bending pattern is most pronounced when a wave from a coherent source (such as a laser) encounters a slit/aperture that is comparable in size to its wavelength, as shown in the inserted image. This is due to the addition, or interference, of different points on the wavefront (or, equivalently, each wavelet) that travel by paths of d ...
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Electronic Band Structure
In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called ''band gaps'' or ''forbidden bands''). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules. Band theory has been successfully used to explain many physical properties of solids, such as electrical resistivity and optical absorption, and forms the foundation of the understanding of all solid-state devices (transistors, solar cells, etc.). Why bands and band gaps occur The electrons of a single, isolated atom occupy atomic orbitals each of which has a discrete energy level. When two or more atoms join together to form a molecule, their atomic orbitals overlap and hybridize. Similarly, if a large number ''N'' of identical atoms come ...
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Potential
Potential generally refers to a currently unrealized ability. The term is used in a wide variety of fields, from physics to the social sciences to indicate things that are in a state where they are able to change in ways ranging from the simple release of energy by objects to the realization of abilities in people. The philosopher Aristotle incorporated this concept into his theory of potentiality and actuality, a pair of closely connected principles which he used to analyze motion, causality, ethics, and physiology in his ''Physics'', ''Metaphysics'', ''Nicomachean Ethics'', and ''De Anima'', which is about the human psyche. That which is potential can theoretically be made actual by taking the right action; for example, a boulder on the edge of a cliff has potential to fall that could be actualized by pushing it over the edge. Several languages have a potential mood, a grammatical construction that indicates that something is potential. These include Finnish, Japanese, and Sanskr ...
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Schrödinger Equation
The Schrödinger equation is a linear partial differential equation that governs the wave function of a quantum-mechanical system. It is a key result in quantum mechanics, and its discovery was a significant landmark in the development of the subject. The equation is named after Erwin Schrödinger, who postulated the equation in 1925, and published it in 1926, forming the basis for the work that resulted in his Nobel Prize in Physics in 1933. Conceptually, the Schrödinger equation is the quantum counterpart of Newton's second law in classical mechanics. Given a set of known initial conditions, Newton's second law makes a mathematical prediction as to what path a given physical system will take over time. The Schrödinger equation gives the evolution over time of a wave function, the quantum-mechanical characterization of an isolated physical system. The equation can be derived from the fact that the time-evolution operator must be unitary, and must therefore be generated by t ...
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