Static Structure Factor
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Static Structure Factor
In condensed matter physics and crystallography, the static structure factor (or structure factor for short) is a mathematical description of how a material scatters incident radiation. The structure factor is a critical tool in the interpretation of scattering patterns (interference patterns) obtained in X-ray, electron and neutron diffraction experiments. Confusingly, there are two different mathematical expressions in use, both called 'structure factor'. One is usually written S(\mathbf); it is more generally valid, and relates the observed diffracted intensity per atom to that produced by a single scattering unit. The other is usually written F or F_ and is only valid for systems with long-range positional order — crystals. This expression relates the amplitude and phase of the beam diffracted by the (hk\ell) planes of the crystal ((hk\ell) are the Miller indices of the planes) to that produced by a single scattering unit at the vertices of the primitive unit cell. F_ is ...
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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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Atomic Form Factor
In physics, the atomic form factor, or atomic scattering factor, is a measure of the scattering amplitude of a wave by an isolated atom. The atomic form factor depends on the type of scattering, which in turn depends on the nature of the incident radiation, typically X-ray, electron or neutron. The common feature of all form factors is that they involve a Fourier transform of a spatial density distribution of the scattering object from real space to momentum space (also known as reciprocal space). For an object with spatial density distribution, \rho(\mathbf), the form factor, f(\mathbf), is defined as f(\mathbf)=\int \rho(\mathbf) e^\mathrm^3\mathbf, where \rho(\mathbf) is the spatial density of the scatterer about its center of mass (\mathbf=0), and \mathbf is the momentum transfer. As a result of the nature of the Fourier transform, the broader the distribution of the scatterer \rho in real space \mathbf, the narrower the distribution of f in \mathbf; i.e., the faster the dec ...
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Face-centred Cubic
In crystallography, the cubic (or isometric) crystal system is a crystal system where the unit cell is in the shape of a cube. This is one of the most common and simplest shapes found in crystals and minerals. There are three main varieties of these crystals: *Primitive cubic (abbreviated ''cP'' and alternatively called simple cubic) *Body-centered cubic (abbreviated ''cI'' or bcc) *Face-centered cubic (abbreviated ''cF'' or fcc, and alternatively called ''cubic close-packed'' or ccp) Each is subdivided into other variants listed below. Although the ''unit cells'' in these crystals are conventionally taken to be cubes, the primitive unit cells often are not. Bravais lattices The three Bravais lattices in the cubic crystal system are: The primitive cubic lattice (cP) consists of one lattice point on each corner of the cube; this means each simple cubic unit cell has in total one lattice point. Each atom at a lattice point is then shared equally between eight adjacent cubes, ...
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Bragg's Law
In physics and chemistry , Bragg's law, Wulff–Bragg's condition or Laue–Bragg interference, a special case of Laue diffraction, gives the angles for coherent scattering of waves from a crystal lattice. It encompasses the superposition of wave fronts scattered by lattice planes, leading to a strict relation between wavelength and scattering angle, or else to the wavevector transfer with respect to the crystal lattice. Such law had initially been formulated for X-rays upon crystals. However, It applies to all sorts of quantum beams, including neutron and electron waves at atomic distances, as well as visible light at artificial periodic microscale lattices. History Bragg diffraction (also referred to as the Bragg formulation of X-ray diffraction) was first proposed by Lawrence Bragg and his father, William Henry Bragg, in 1913 in response to their discovery that crystalline solids produced surprising patterns of reflected X-rays (in contrast to that of, say, a liquid). They ...
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Miller Index
Miller indices form a notation system in crystallography for lattice planes in crystal (Bravais) lattices. In particular, a family of lattice planes of a given (direct) Bravais lattice is determined by three integers ''h'', ''k'', and ''ℓ'', the ''Miller indices''. They are written (hkℓ), and denote the family of (parallel) lattice planes (of the given Bravais lattice) orthogonal to \mathbf_ = h\mathbf + k\mathbf + \ell\mathbf, where \mathbf are the basis or primitive translation vectors of the reciprocal lattice for the given Bravais lattice. (Note that the plane is not always orthogonal to the linear combination of direct or original lattice vectors h\mathbf + k\mathbf + \ell\mathbf because the direct lattice vectors need not be mutually orthogonal.) This is based on the fact that a reciprocal lattice vector \mathbf (the vector indicating a reciprocal lattice point from the reciprocal lattice origin) is the wavevector of a plane wave in the Fourier series of a spatial ...
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Reciprocal Lattice
In physics, the reciprocal lattice represents the Fourier transform of another lattice (group) (usually a Bravais lattice). In normal usage, the initial lattice (whose transform is represented by the reciprocal lattice) is a periodic spatial function in real space known as the ''direct lattice''. While the direct lattice exists in real space and is commonly understood to be a physical lattice (such as the lattice of a crystal), the reciprocal lattice exists in the space of spatial frequencies known as reciprocal space or k space, where \mathbf refers to the wavevector. In quantum physics, reciprocal space is closely related to momentum space according to the proportionality \mathbf = \hbar \mathbf, where \mathbf is the momentum vector and \hbar is the Planck constant. The reciprocal lattice of a reciprocal lattice is equivalent to the original direct lattice, because the defining equations are symmetrical with respect to the vectors in real and reciprocal space. Mathematically, ...
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Perfect Crystal
Crystalline materials (mainly metals and alloys, but also stoichiometric salts and other materials) are made up of solid regions of ordered matter (atoms placed in one of a number of ordered formations called Bravais lattices). These regions are known as crystals. A perfect crystal is a crystal that contains no point, line, or planar defects. There are a wide variety of crystallographic defects. The hypothetical concept of a perfect crystal is important in the basic formulation of the third law of thermodynamics. In crystallography, the phrase 'perfect crystal' can be used to mean "no linear or planar imperfections", as it is difficult to measure small quantities of point imperfections in an otherwise defect-free crystal. Imperfections are created by various thermodynamic Thermodynamics is a branch of physics that deals with heat, work, and temperature, and their relation to energy, entropy, and the physical properties of matter and radiation. The behavior of these quant ...
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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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Crystal 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, mo ...
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Translational Symmetry
In geometry, to translate a geometric figure is to move it from one place to another without rotating it. A translation "slides" a thing by . In physics and mathematics, continuous translational symmetry is the invariance of a system of equations under any translation. Discrete translational symmetry is invariant under discrete translation. Analogously an operator on functions is said to be translationally invariant with respect to a translation operator T_\delta if the result after applying doesn't change if the argument function is translated. More precisely it must hold that \forall \delta \ A f = A (T_\delta f). Laws of physics are translationally invariant under a spatial translation if they do not distinguish different points in space. According to Noether's theorem, space translational symmetry of a physical system is equivalent to the momentum conservation law. Translational symmetry of an object means that a particular translation does not change the object. For ...
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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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Ensemble Average
In physics, specifically statistical mechanics, an ensemble (also statistical ensemble) is an idealization consisting of a large number of virtual copies (sometimes infinitely many) of a system, considered all at once, each of which represents a possible state that the real system might be in. In other words, a statistical ensemble is a set of systems of particles used in statistical mechanics to describe a single system. The concept of an ensemble was introduced by J. Willard Gibbs in 1902. A thermodynamic ensemble is a specific variety of statistical ensemble that, among other properties, is in statistical equilibrium (defined below), and is used to derive the properties of thermodynamic systems from the laws of classical or quantum mechanics. Physical considerations The ensemble formalises the notion that an experimenter repeating an experiment again and again under the same macroscopic conditions, but unable to control the microscopic details, may expect to observe a rang ...
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