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1.0 Learning Objectives
?? ?? ?? ?? ?? ?? ?? ?? Define point defects. Define line defects. Define planar defects. Define edge, screw, and mixed dislocations. Determine the direction of motion for edge and screw dislocations. Calculate atomic density in a solid. Distinguish between defects of different dimensions. Calculate the concentration of vacancies as a function of temperature in a solid. ?? Distinguish between substitutional and interstitial impurities.
. Links for Defects & Imperfections in Materials: http://www.geocities.com/materialsworldweb/Imperfections.html . Presentation on Defects (includes animation of edge & screw dislocations moving): http://www-classes.usc.edu/engr/ms/125/MDA125/defects/ . Another Tutorial & Animation: http://www.uet.edu.pk/dmems/online_study_aid.htm . Another Defect Tutorial & Animation: http://www.techfak.uni-kiel.de/matwis/amat/def_en/makeindex.html
3.0 Theory of Crystalline Defects
Even though crystals are defined as ordered arrangements of atoms or ions, they are not perfect. There always exist crystalline defects, which can be point defects occurring at a single lattice point; line defects occurring along a row of atoms; or planar defects occurring over a two -dimensional surface in the crystal. There can also be three-dimensional defects such as voids. Defects influence the electrical and mechanical properties of solids; in fact it is the defects that are usually responsible for the existence of useful properties. Almost, or perhaps all, technology involving materials depends on the existence of some kind of defects.
A point defect is a defect that occurs at a specific lattice point. There are many types of point defects. The existence of point defects is thermodynamically predictable, and they influence the electronic properties of the crystal. There is
This increase in vacancy concentration allows high temperature diffusion to take place. Silicon is thought to contain both negatively and positively charged vacancies. The concentration of vacancies (Nv ) in a crystal has an Arrhenius dependence on temperature. Since charge neutrality must be maintained overall.1 and 4. single vacancies cannot exist in ionic materials due to the necessity of maintaining charge neutrality in the crystal. When there are a large number of impurities (on the order of a percent to 50 percent). In fact. point defects are usually charged. Interstitials and vacancies may be attracted to each other and form loops or clusters. as: ?? E ?? Nv ? Nexp ?? v ?? ? ?? RT ?? (2) where N is the concentration of lattice sites. An interstitial is an atom occupying the space between regular lattice sites. Point defects may also combine to form. taking the place of the host atom. The latter defects can only occur in ionic materials. a missing Na + ion is negatively charged. which is used to carefully control the impurity concentration in semiconductors during manufacturing. for example. if there is a missing cation. there must also be a missing anion. A Frenkel defect is a vacancy and an interstitial bound together. because of the “extra” electron associated with the anion. A substitutional impurity occupies a regular lattice site. Increasing the temperature of a solid causes the vacancy concentration to increase exponentially. This particularly can affect the electrical properties of the crystal. Ev is the formation energy of the vacancy in Joules/mol. A Schottky defect is an anion vacancy and a cation vacancy bound together. divacancies. Different kinds of point defects are shown in Callister Figures 4. in sodium chloride. A vacancy is a "missing" atom in a crystal. but their presence can be inferred through diffusion experiments or optical spectroscopy. Point defects cannot be observed directly. In ionic materials. such as ceramics and semiconductors. . and both singly and doubly charged vacancies and interstitials. The concentration of these point defects influences the rate of diffusion of impurities through the crystal and also influences the optical properties. A self-interstitial is an atom of the host crystal in an interstitial position. the material is called a solid solution. while an impurity interstitial is a different kind of atom in an interstitial position. For example.2. R is the gas constant and T is the absolute temperature in Kelvin.strain in the crystal in the immediate vicinity of the point defect.
Dislocations are shown in Callister Figures 4. movement of atoms relative to each other would be very difficult. but it is useful as a conductor line in integrated circuits. and no plastic deformation would be possible. For example. Likewise. Although the material has the same composition and structure on either side of a boundary. Edge dislocations can be thought of as an extra plane of atoms above or below the dislocation line. Each separate crystalline area is called a grain.7-4. Because of its grain boundaries. Most materials are polycrystalline. and they do not move easily. and it is easy for dislocations to move. the crystalline structure does not match up perfectly with the crystalline structure in a neighboring area. There are two types of dislocations: edge dislocations and screw dislocations. called dislocations . such as a line or a curve. or polysilicon as it is called. . The manufacture of most metal parts is possible because of dislocations. These materials are hard.3 -4. but the two sides are offset from each other. rather than shatter. These defects. A screw dislocation winds through the dislocation like a screw. the polysilicon acts more like a metal.2 Line Defects Line defects are defects that extend through the crystal along a one-dimensional boundary. is an important material in microelectronics. is because they contain enormous numbers of dislocations. grain boundaries. Semiconductors and ceramic materials. are created when planes of atoms are out of place.3. 3. on the other hand. the reason metallic parts bend under loads. and interfaces between different layers of materials .9. and the boundaries between the grains are called grain boundaries. the boundary between a thin film of silicon dioxide and a silicon wafer is an important interface in microelectronics.5. such that on each side of the defect the lattice planes are lined up perfectly. Without dislocations. do not contain as many dislocations. Thus it appears that there is an extra plane of atoms on one side. Polycrystalline silicon. Some examples are surfaces. Some examples are shown in Callister Figures 4. but brittle as a result. It does not have the perfectly crystalline structure of the underlying silicon wafer. The crystal is divided in two by line defects.3 Planar (Interfacial) Defects Planar (interfacial) defects occur wherever the crystalline structure of the material is not continuous across a plane.
Lab Worksheet 2. BCC Fe exists at temperatures below 1183 K and has a lattice parameter of 0.1 Atomic Density Calculate the density of body-centered cubic iron and compare it to the density of face-centered cubic iron.87 g/cm3 How can you explain the discrepancy in terms of lattice defects? . FCC Fe exists between 1183 K and 1673 K and has a lattice parameter of 0. Compare your results for the BCC iron to the actual measured value given in Callister: ?Fe = 7.354 nm.287 nm.
Fit the two "crystals" together with a set of atomic bonds (toothpicks) such that there are no "extra" or "missing" atoms at the interface. Be sure everyone uses the same size atoms (spheres) and same lattice parameter (toothpick length). Determine the tilt angle between your two grains. 3. using two different toothpick lengths to make two different lattice parameters (a1 and a 2) and different atomic sizes (spheres). interstitials (both types) and substitutional impurities. . Make two separate sets of simple cubic unit cells. because the difference in structure will cause strain in the bonds. Can you determine whether an impurity will be interstitial or substitutional from its size? Notice how the atomic bond lengths are affected by the presence of a vacancy or an impurity. Are the relative orientations of your two grains close to each other (low tilt angle) or very different (high tilt angle)? Exercise 4 Make an interface between two different crystal structures or materials with different lattice parameters. 2. The "crystals" should be at least two unit cells thick.) Exercise 3 Make a two dimensional array of unit cells and combine it with that of other students to demonstrate grain boundaries. and notice where the dislocation line is. 1. Which way will the dislocation move under various types of stress? Where is the strain in the lattice caused by the dislocation? Calculate the planar density of dislocations in your model. Notice that the rows of atomic bonds on either side of the interface are strained due to the mismatch in lattice parameters. Exercise 2 Make an array of unit cells which contains an edge dislocation.2 Building Defect Models Exercise I Using the styrofoam kits. This is called a strained interface.Lab Bluesheet: 2. build some model unit cells which contain vacancies. You can determine this by counting the number of dislocations which intersect the "surface" of your crystal divided by the area of your crystal surface. (The number of dislocations per unit area. This type of interface can be very harmful to electronic properties in semiconductors.