Powder diffractionPowder diffraction is a scientific technique using X-ray, neutron, or electron diffraction on powder or microcrystalline samples for structural characterization of materials. An instrument dedicated to performing such powder measurements is called a powder diffractometer. Powder diffraction stands in contrast to single crystal diffraction techniques, which work best with a single, well-ordered crystal. Diffraction grating The most common type of powder diffraction is with x-rays, the focus of this article although some aspects of neutron powder diffraction are mentioned.
DiffractionDiffraction is 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.
Crystal structureIn crystallography, crystal structure is a description of the ordered arrangement of atoms, ions, or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in the material that constitutes this repeating pattern is the unit cell of the structure.
Fraunhofer diffractionIn optics, the Fraunhofer diffraction equation is used to model the diffraction of waves when plane waves are incident on a diffracting object, and the diffraction pattern is viewed at a sufficiently long distance (a distance satisfying Fraunhofer condition) from the object (in the far-field region), and also when it is viewed at the focal plane of an imaging lens. In contrast, the diffraction pattern created near the diffracting object and (in the near field region) is given by the Fresnel diffraction equation.
Fresnel diffractionIn optics, the Fresnel diffraction equation for near-field diffraction is an approximation of the Kirchhoff–Fresnel diffraction that can be applied to the propagation of waves in the near field. It is used to calculate the diffraction pattern created by waves passing through an aperture or around an object, when viewed from relatively close to the object. In contrast the diffraction pattern in the far field region is given by the Fraunhofer diffraction equation. The near field can be specified by the Fresnel number, F, of the optical arrangement.
Electron diffractionElectron diffraction refers to changes in the direction of electron beams due to interactions with atoms. Close to the atoms the changes are described as Fresnel diffraction; far away they are called Fraunhofer diffraction. The resulting map of the directions of the electrons far from the sample (Fraunhofer diffraction) is called a diffraction pattern, see for instance Figure 1. These patterns are similar to x-ray and neutron diffraction patterns, and are used to study the atomic structure of gases, liquids, surfaces and bulk solids.
Diffraction from slitsDiffraction processes affecting waves are amenable to quantitative description and analysis. Such treatments are applied to a wave passing through one or more slits whose width is specified as a proportion of the wavelength. Numerical approximations may be used, including the Fresnel and Fraunhofer approximations. Because diffraction is the result of addition of all waves (of given wavelength) along all unobstructed paths, the usual procedure is to consider the contribution of an infinitesimally small neighborhood around a certain path (this contribution is usually called a wavelet) and then integrate over all paths (= add all wavelets) from the source to the detector (or given point on a screen).
CrystalA 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.
X-ray crystallographyX-ray crystallography is the experimental science determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their crystallographic disorder, and various other information.
Miller indexMiller 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 , where are the basis or primitive translation vectors of the reciprocal lattice for the given Bravais lattice.
Composite materialA composite material (also called a composition material or shortened to composite, which is the common name) is a material which is produced from two or more constituent materials. These constituent materials have notably dissimilar chemical or physical properties and are merged to create a material with properties unlike the individual elements. Within the finished structure, the individual elements remain separate and distinct, distinguishing composites from mixtures and solid solutions.
CrystallographyCrystallography is the experimental science of determining the arrangement of atoms in crystalline solids. Crystallography is a fundamental subject in the fields of materials science and solid-state physics (condensed matter physics). The word crystallography is derived from the Ancient Greek word κρύσταλλος (; "clear ice, rock-crystal"), with its meaning extending to all solids with some degree of transparency, and γράφειν (; "to write").
Bragg's lawIn 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 large 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.
Precession electron diffractionPrecession electron diffraction (PED) is a specialized method to collect electron diffraction patterns in a transmission electron microscope (TEM). By rotating (precessing) a tilted incident electron beam around the central axis of the microscope, a PED pattern is formed by integration over a collection of diffraction conditions. This produces a quasi-kinematical diffraction pattern that is more suitable as input into direct methods algorithms to determine the crystal structure of the sample.
Cubic crystal systemIn 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) Note: the term fcc is often used in synonym for the cubic close-packed or ccp structure occurring in metals.
Crystal systemIn crystallography, a crystal system is a set of point groups (a group of geometric symmetries with at least one fixed point). A lattice system is a set of Bravais lattices. Space groups are classified into crystal systems according to their point groups, and into lattice systems according to their Bravais lattices. Crystal systems that have space groups assigned to a common lattice system are combined into a crystal family. The seven crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal, and cubic.
Crystallographic databaseA crystallographic database is a database specifically designed to store information about the structure of molecules and crystals. Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules. They are characterized by symmetry, morphology, and directionally dependent physical properties. A crystal structure describes the arrangement of atoms, ions, or molecules in a crystal.
Crystallographic point groupIn crystallography, a crystallographic point group is a set of symmetry operations, corresponding to one of the point groups in three dimensions, such that each operation (perhaps followed by a translation) would leave the structure of a crystal unchanged i.e. the same kinds of atoms would be placed in similar positions as before the transformation.
X-ray scattering techniquesX-ray scattering techniques are a family of non-destructive analytical techniques which reveal information about the crystal structure, chemical composition, and physical properties of materials and thin films. These techniques are based on observing the scattered intensity of an X-ray beam hitting a sample as a function of incident and scattered angle, polarization, and wavelength or energy.
Crystallographic defectA crystallographic defect is an interruption of the regular patterns of arrangement of atoms or molecules in crystalline solids. The positions and orientations of particles, which are repeating at fixed distances determined by the unit cell parameters in crystals, exhibit a periodic crystal structure, but this is usually imperfect. Several types of defects are often characterized: point defects, line defects, planar defects, bulk defects. Topological homotopy establishes a mathematical method of characterization.
