Dislocations point defects

Note that we can use the same statistical mechanical approach to calculate SchottslQi" pairs, Frenkel pairs, divancies (which are associated vacancies), impurity-vacancy complexes, and line dislocation-point defect complexes. 

Although several types of lattices have been described for ionic crystals and metals, it should be remembered that no crystal is perfect. The irregularities or defects in crystal structures are of two general types. The first type consists of defects that occur at specific sites in the lattice, and they are known as point defects. The second type of defect is a more general type that affects larger regions of the crystal. These are the extended defects or dislocations. Point defects will be discussed first. 

The heterogeneities referred to here are the different type of surfaces, e.g., (Ill), (ICO) that have different bonding energies. Also, dislocations, point defects, steps, etc. (see I ig. 7.110), are sites with stronger bonding energies chan flat surfaces. 

G.33 A. Kelly and G. W. Groves. Crystallography and Crystal Defects (Reading, Mass. Addison-Wesley, 1970). Careful analysis of the departure from perfect periodicity caused by specific defects in specific, and common, structures (BCC, FCC, HCP, etc.). Describes the crystallography of dislocations, point defects, twins, martensite, and crystal interfaces. 

There are several different modes of thermal excitation of a solid, and each type contributes to a gradual disordering of the crystal. They include, in addition to atomic vibrations, dislocations, point defects such as vacancies and interstitials, and in the case of molecular crystals, orientational defects. Each has a characteristic excitation energy governing an exponential increase with temperature, which can appear to be precursors of the transition. 

Dislocation theory as a portion of the subject of solid-state physics is somewhat beyond the scope of this book, but it is desirable to examine the subject briefly in terms of its implications in surface chemistry. Perhaps the most elementary type of defect is that of an extra or interstitial atom—Frenkel defect [110]—or a missing atom or vacancy—Schottky defect [111]. Such point defects play an important role in the treatment of diffusion and electrical conductivities in solids and the solubility of a salt in the host lattice of another or different valence type [112]. Point defects have a thermodynamic basis for their existence in terms of the energy and entropy of their formation, the situation is similar to the formation of isolated holes and erratic atoms on a surface. Dislocations, on the other hand, may be viewed as an organized concentration of point defects they are lattice defects and play an important role in the mechanism of the plastic deformation of solids. Lattice defects or dislocations are not thermodynamic in the sense of the point defects their formation is intimately connected with the mechanism of nucleation and crystal growth (see Section IX-4), and they constitute an important source of surface imperfection. 

Issues associated with order occupy a large area of study for crystalline matter [1, 7, 8]. For nearly perfect crystals, one can have systems with defects such as point defects and extended defects such as dislocations and grain... 

If tlie level(s) associated witli tlie defect are deep, tliey become electron-hole recombination centres. The result is a (sometimes dramatic) reduction in carrier lifetimes. Such an effect is often associated witli tlie presence of transition metal impurities or certain extended defects in tlie material. For example, substitutional Au is used to make fast switches in Si. Many point defects have deep levels in tlie gap, such as vacancies or transition metals. In addition, complexes, precipitates and extended defects are often associated witli recombination centres. The presence of grain boundaries, dislocation tangles and metallic precipitates in poly-Si photovoltaic devices are major factors which reduce tlieir efficiency. 

Two point defects may aggregate to give a defect pair (such as when the two vacanc that constitute a Schottky defect come from neighbouring sites). Ousters of defects ( also form. These defect clusters may ultimately give rise to a new periodic structure oi an extended defect such as a dislocation. Increasing disorder may alternatively give j to a random, amorphous solid. As the properties of a material may be dramatically alte by the presence of defects it is obviously of great interest to be able to imderstand th relationships and ultimately predict them. However, we will restrict our discussion small concentrations of defects. 

The ultimate trapping site for a photoelectron is influenced by the high dielectric constant of silver haUde (ca 12.5, 11.15, and 7.15 for AgBr, AgCl, and P-AgI, respectively), the negative surface charge, and relative trap depths. Interior traps located at point defects on dislocation lines are probably not as... 

The physical properties of tellurium are generally anistropic. This is so for compressibility, thermal expansion, reflectivity, infrared absorption, and electronic transport. Owing to its weak lateral atomic bonds, crystal imperfections readily occur in single crystals as dislocations and point defects. 

For the deformation of NiAl in a soft orientation our calculations give by far the lowest Peierls barriers for the (100) 011 glide system. This glide system is also found in many experimental observations and generally accepted as the primary slip system in NiAl [18], Compared to previous atomistic modelling [6], we obtain Peierls stresses which are markedly lower. The calculated Peierls stresses (see table 1) are in the range of 40-150 MPa which is clearly at the lower end of the experimental low temperature deformation data [18]. This may either be attributed to an insufficiency of the interaction model used here or one may speculate that the low temperature deformation of NiAl is not limited by the Peierls stresses but by the interaction of the dislocations with other obstacles (possibly point defects and impurities). 

In impure metals, dislocation motion ocures in a stick-slip mode. Between impurities (or other point defects) slip occurs, that is, fast motion limited only by viscous drag. At impurities, which are usually bound internally and to the surrounding matrix by covalent bonds, dislocations get stuck. At low temperatures, they can only become freed by a quantum mechanical tunneling process driven by stress. Thus this part of the process is mechanically, not thermally, driven. The description of the tunneling rate has the form of Equation (4.3). Overall, the motion has two parts the viscous part and the tunneling part. 

First, I shall describe the hydrogenation method I used and then consider the passivation of surface states and that of bulk dangling bonds, including grain boundaries, dislocations and point defects. 

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