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Precession Electron Diffraction
Precession 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. Overview Geometry Precession electron diffraction is accomplished utilizing the standard instrument configuration of a modern TEM. The animation illustrates the geometry used to generate a PED pattern. Specifically, the beam tilt coils located pre-specimen are used to tilt the electron beam off of the optic axis so it is incident with the specimen at an angle, φ. The image shift coils post-specimen are then used to tilt the diffracted beams back in a complementary manner such that the ...
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Precession Electron Diffraction (White)
Precession 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. Overview Geometry Precession electron diffraction is accomplished utilizing the standard instrument configuration of a modern TEM. The animation illustrates the geometry used to generate a PED pattern. Specifically, the beam tilt coils located pre-specimen are used to tilt the electron beam off of the optic axis so it is incident with the specimen at an angle, φ. The image shift coils post-specimen are then used to tilt the diffracted beams back in a complementary manner such that the ...
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X-ray Diffraction
X-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. Since many materials can form crystals—such as salts, metals, minerals, semiconductors, as well as various inorganic, organic, and biological molecules—X-ray crystallography has been fundamental in the development of many scientific fields. In its first decades of use, this method determined the size of atoms, the lengths and types of chemical bonds, and the atomic-scale differences among various mat ...
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Direct Methods (crystallography)
In crystallography, direct methods are a family of methods for estimating the phases of the Fourier transform of the scattering density from the corresponding magnitudes. The methods generally exploit constraints or statistical correlations between the phases of different Fourier components that result from the fact that the scattering density must be a positive real number. In two dimensions, it is relatively easy to solve the phase problem directly, but not so in three dimensions. The key step was taken by Hauptman and Karle, who developed a practical method to employ the Sayre equation for which they were awarded the 1985 Nobel prize in Chemistry. The Nobel Prize citation was "for their outstanding achievements in the development of direct methods for the determination of crystal structures." At present, direct methods are the preferred method for phasing crystals of small molecules having up to 1000 atoms in the asymmetric unit. However, they are generally not feasible by ...
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Space Group
In mathematics, physics and chemistry, a space group is the symmetry group of an object in space, usually in three dimensions. The elements of a space group (its symmetry operations) are the rigid transformations of an object that leave it unchanged. In three dimensions, space groups are classified into 219 distinct types, or 230 types if chiral copies are considered distinct. Space groups are discrete cocompact groups of isometries of an oriented Euclidean space in any number of dimensions. In dimensions other than 3, they are sometimes called Bieberbach groups. In crystallography, space groups are also called the crystallographic or Fedorov groups, and represent a description of the symmetry of the crystal. A definitive source regarding 3-dimensional space groups is the ''International Tables for Crystallography'' . History Space groups in 2 dimensions are the 17 wallpaper groups which have been known for several centuries, though the proof that the list was complete was only ...
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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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Crystal System
In 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. Informally, two crystals are in the same crystal system if they have similar symmetries (albeit there are many exceptions). Classifications Crystals can be classified in three ways: lattice systems, crystal systems and crystal families. The various classifications are often confused: in particular the trigonal crystal system is often confused with the rhombohedral lattice system, and the term "crystal system" is sometimes used to mean "latti ...
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Crystal Symmetry
In 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. The unit cell completely reflects the symmetry and structure of the entire crystal, which is built up by repetitive translation of the unit cell along its principal axes. The translation vectors define the nodes of the Bravais lattice. The lengths of the principal axes, or edges, of the unit cell and the angles between them are the lattice constants, also called ''lattice parameters'' or ''cell parameters''. The symmetry properties of the crystal are described by the concept of space groups. All possible symmetric arrangements of particles ...
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Mechanical Properties
A materials property is an intensive property of a material, i.e., a physical property that does not depend on the amount of the material. These quantitative properties may be used as a metric by which the benefits of one material versus another can be compared, thereby aiding in materials selection. A property may be a constant or may be a function of one or more independent variables, such as temperature. Materials properties often vary to some degree according to the direction in the material in which they are measured, a condition referred to as anisotropy. Materials properties that relate to different physical phenomena often behave linearly (or approximately so) in a given operating range. Modeling them as linear functions can significantly simplify the differential constitutive equations that are used to describe the property. Equations describing relevant materials properties are often used to predict the attributes of a system. The properties are measured by standard ...
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Electromagnetic
In physics, electromagnetism is an interaction that occurs between particles with electric charge. It is the second-strongest of the four fundamental interactions, after the strong force, and it is the dominant force in the interactions of atoms and molecules. Electromagnetism can be thought of as a combination of electrostatics, electricity and magnetism, two distinct but closely intertwined phenomena. In essence, electric forces occur between any two charged particles, causing an attraction between particles with opposite charges and repulsion between particles with the same charge, while magnetism is an interaction that occurs exclusively between ''moving'' charged particles. These two effects combine to create electromagnetic fields in the vicinity of charge particles, which can exert influence on other particles via the Lorentz force. At high energy, the weak force and electromagnetic force are unified as a single electroweak interaction, electroweak force. The electroma ...
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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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Electron Crystallography
Electron crystallography is a method to determine the arrangement of atoms in solids using a transmission electron microscope (TEM). Comparison with X-ray crystallography It can complement X-ray crystallography for studies of very small crystals ( 1 micrometer) crystals impervious to electrons, which only penetrate short distances. One of the main difficulties in X-ray crystallography is determining phases in the diffraction pattern. Because of the complexity of X-ray lenses, it is difficult to form an image of the crystal being diffracted, and hence phase information is lost. Fortunately, electron microscopes can resolve atomic structure in real space and the crystallographic structure factor phase information can be experimentally determined from an image's Fourier transform. The Fourier transform of an atomic resolution image is similar, but different, to a diffraction pattern—with reciprocal lattice spots reflecting the symmetry and spacing of a crystal. Aaron Klug was the ...
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X-ray Crystallography
X-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. Since many materials can form crystals—such as salts, metals, minerals, semiconductors, as well as various inorganic, organic, and biological molecules—X-ray crystallography has been fundamental in the development of many scientific fields. In its first decades of use, this method determined the size of atoms, the lengths and types of chemical bonds, and the atomic-scale differences among various mat ...
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