Dynamic Aspects of Dislocation Behaviour Near Low-Angle Boundary in Molybdenum Single Crystals

The dislocation behaviour was inventigated in specimens of monocrystals of molybdenium during in — situ stretching in the direction [001] near low — angle twist boundary which was close to be parallel to the direction of the external force. Low-angle boundary is easily penetrable for the fast moving nonscrew dislocations and acts as an effective stopper for screw dislocations which are quite parallel to the forming boundary dislocations. The mixed tipe dislocations emission by the low-angle boundary was noticed. On the stage when plastic deformation is performed mainly by the motion of screw dislocations the “relay-race”-like transmission of the dislocations motion through the boundary was observed.     

Plastic deformation and fracture in LiF Bicrystals with asymmetric tilt boundary

The peculiarities of plastic deformation and fracture in isoaxial LiF bicrystals with misorientation angle α = 10° and tilt boundary of various asymmetry were experimentally studied by the single slip method. It was found that a number of effects at the boundary, attacked by mixed dislocations, is possible: retardation of dislocations near the boundary and pile-ups formation, dislocation multiplication, accumulation of grain boundary dislocations with differential Burgers vector. Predominance of each or that effect in the process of crack initiation at the definite misorientation angle depends on the mutual orientation of slip planes in the neighbouring grains and on the edge and screw component part in the dislocations, attacking the boundary. The main role, apparently, belongs to dislocation pile-ups. Cracks are always nucleated in the boundary, but in the case of strong asymmetry they stretch along cubic planes.     

The first observation of dislocation blocking in pure metal without external stress

Self-blocking of c + a edge dislocations at second-order pyramidal slip in magnesium single crystals whose axis is parallel to the c axis has been found. Self-blocking is confirmed by the dislocation extension along a selected direction in the absence of external stress. Transmission electron microscopy (TEM) images of (c + a) dislocations extended in the $\left\langle {1\bar 100} \right\rangle$ directions are obtained. A model of a two-valley potential relief in Mg is proposed: the Peierls relief determines the second-order slip of (c + a) dislocation in the pyramid plane, while the immersion in deep valleys is related to splitting of the c + a edge segment (or the spread of its core) in the basal plane.     

Efficiency of dislocations as sinks of radiation defects in fcc copper crystal

The sink efficiency of perfect dislocations for self-point defects (interstitials and vacancies) in fcc copper crystal has been calculated by the kinetic Monte Carlo method in a temperature range of 293–1000 K and a range of dislocation densities from 1.3 × 10¹² to 3.0 × 10¹⁴ m^?2. Screw, mixed, and edge dislocations with a Burgers vector 1/2<110> in different slip systems are analyzed. The interaction energies of self-point defects with dislocations are calculated using the anisotropic theory of elasticity. Analytical expressions are proposed for the dependences of the calculated values of dislocation sink efficiency on temperature and dislocation density.     

The features of X-ray topographic contrast formation in silicon with dislocation clusters

The features of formation of diffraction images of edge dislocation sets forming clusters (of two, three and more dislocations) as well as small-angle dislocation boundaries (walls) have been studied. A variety of diffraction effects of wave fields created in strongly distorted crystals regions along dislocation lines have been observed. Various intensity interference effects of rescattering and internal reflection of the newly formed and already existing wave fields on thickness distributions of intensity for the case of presence in the same glide plane of edge dislocations with parallel and anti-parallel Burgers vectors were discovered.     

Influence of a buried misfit dislocation network on the pyramid-to-dome transition size of Ge self-assembled quantum dots on Si(0 0 1)

The critical sizes of the pyramid-to-dome transition of Ge self-assembled quantum dots (SAQDs) grown on relaxed SiGe buffer layers were investigated for the relationship between the misfit strain built in dots and nucleation sites. The strain field of arrays of buried dislocations in a relaxed SiGe buffer layer provided preferential nucleation sites for quantum dots. Burgers vector analysis using plan-view transmission electron microscopy verified that the preferential nucleation sites of Ge SAQDs depended on the Burgers vector direction of corresponding dislocations. The measurement of the lateral distance between SAQDs and dislocations clarified that the location of SAQDs was at the intersection of the dislocation slip plane and the top surface. The samples are fabricated to contain low dislocation densities. The average dislocation spacing is larger than the surface migration length of Ge adatoms, resulting in two groups of SAQDs, those that are located along the dislocations, and those that are not. Atomic force microscopy observations showed a distinctively larger critical size for Ge SAQDs grown over the intersection of the dislocation slip plane and the top surface than those grown in regions between dislocations. These experimental observations indicate that the critical size of the pyramid-to-dome transition is strongly dependent on misfit strain in SAQDs with lower strain being associated with a larger critical size.     

Specific features of formation and propagation of 60° and 90° misfit dislocations in GexSi1−x/Si films with x>0.4

The dislocation structure at the initial stage of relaxation of Ge_xSi_1−x films (x∼0.4–0.8) grown on Si (0 0 1) substrates tilted at 6° to the nearest (1 1 1) plane is studied. The use of Si substrates tilted away from the exact (0 0 1) orientation for epitaxial growth of Ge_xSi_1−x films (x≥0.4) allowed finding the basic mechanism of formation of edge dislocations that eliminate the mismatch stresses. Though the edge dislocations are defined as sessile dislocations, they are formed in accordance with the slipping mechanism proposed previously by Kvam et al. (1990). It is highly probable that a 60° misfit dislocation (MD) propagating by the slipping mechanism provokes the nucleation of a complementary 60° MD slipping in a mirror-like tilted plane (1 1 1). The reaction between these dislocations leads to the formation of an edge MD that ensures more effective reconciliation of the discrepancy. Comparative estimation of the slip velocities of the primary and induced 60° MDs and also of the resultant 90° MD is fulfilled. The slip velocity of the induced 60° MD is appreciably greater than the velocity of the primary 60° MD. Therefore, the induced MD “catches up” with the second front of the primary MD, thus forming a 90° MD propagating to both sides due to slipping of the 60° MDs forming it. The propagation velocity of the 90° MD is also greater than the slip velocity of a single 60° MD. For these reasons, 90° MDs under certain conditions that favor their formation and propagation can become the main defects responsible for plastic relaxation of GeSi films close to Ge in terms of their composition.     

Dislocation mobility in LiF at low temperatures

The mobility of dislocations in LiF has been measured at 4.2 and 10 K by means of an etch pit technique. The average velocity of screw dislocations is 2–5 times as large as edge dislocations. The results of the stress and temperature dependence of the velocities correlate well with the data of the critical shear stress in the same temperature region, and are well described by the theory of Peierls mechanism with thd Peierls stress of about 20 MPa for edge dislocations on {110} slip plane.     

Dynamic interaction of dislocations with impurity subsystem in crystalline materials

The entrainment of impurities by moving dislocations results in the accumulation of impurities in dislocation cores, which eventually significantly modifies the dynamic properties of dislocations. In the framework of the kink mechanism, the possible modes of motion are found self-consistently and the conditions for dislocation immobilization are determined. The dependence of the immobilization stress (the parameter that is most important for ??defect engineering?? in semiconductors) on the material parameters and experimental conditions is calculated.     

Effect of Stressed State Type on Work Hardening and Evolution of Dislocation Structure in Magnesium Single Crystals

The type of stressed state (compression, simple shear) is shown to effect the parameters of a work hardening curve for Mg single crystals under basic slip. The electron-microscopic results for the dislocation structure are indicative of the fact that work hardening at stage A of the work hardening curve is connected with the basis-basis dislocation interaction, while the to-B-stage transition and a rapid growth of strain stress are due to the interaction between basic dislocations and “forest” dislocations in the {101 0} {112 0} systems, the latter dislocations arising from the stress relaxation in the primary slip system.     

In-situ Observations on Dynamic Processes Associated with Stacking Faults and Deformation Twins in Silicon Crystals

Stacking faults and thin deformation twins are observed to develop during the in-situ deformation of silicon crystals at elevated temperatures in a HVEM. Both the nucleation and the motion of partial dislocations take place under the applied stress in the regions of the stress concentration. Twinning dislocations moving on twin boundaries are extremely flexible. The spontaneous nucleation of loops of twinning dislocation on twin boundaries is observed rather frequently. No pole mechanism is observed to be operating. Stacking faults and deformation twins interact with glide dislocations moving along the intersecting planes by various ways.     

First-principles estimate of Peierls energy in sodium chloride

The Peierls barrier height for edge dislocations in sodium chloride crystal has been estimated from first principles based on the density functional theory. The calculation was performed using a plane-wave expansion of the Bloch functions of a periodic structure with sp. gr. Pmmm and a supercell containing an edge dislocation dipole of dominating slip system \({1 \mathord{\left/ {\vphantom {1 2}} \right. \kern-\nulldelimiterspace} 2}\langle 110\rangle \{ \overline 1 10\} \). It is shown within the generalized gradient approximation for the exchange-correlation energy that, among the two symmetric positions of dislocation line in the Peierls relief, configuration I, which has a compact core of size d ≈ b (b is the Burgers vector length), is characterized by minimum energy. The second symmetric position corresponds to configuration II with an extended core (d ≈ 2b). Its energy exceeds the Peierls relief minimum by 1.2 × 10^–2 eV (per lattice period). An application of compressive stress changes the form of crystalline relief: its minimum moves to position II.     

Precipitation-induced Dislocations in Crystals of NaCl:Ni

Using the decoration technique, the dislocation structure has been observed in regions localized near precipitates in nickel-doped NaCl crystals. The results are interpreted in terms of the stress-operated mechanism for the generation of prismatic dislocations by the precipitates. Normally only two of twelve possible slip directions operate for 〈110〉 rods. This is accounted for in terms of the climb and disappearance of dislocation loops corresponding to the other directions. {100} plates produce loops spreading along for 〈110〉 directions.     

Dislocation etching in V3Si

Dislocations in as-grown and in plastically deformed V₃Si single crystals have been studied by chemical etching. In as-grown crystals dislocations are partly arranged in small-angle boundaries parallel to {001}, {011}, and {112} planes. The total dislocation density amounted to (10⁵−10⁶) cm⁻². After plastic deformation at elevated temperatures indications for slip and climb processes were observed. The dislocation density increased to 10⁷ cm⁻².     

Nucleation,Glide Velocity and Blocking of Misfit Dislocations in SiGe/Si

Relaxation of strained layer systems is still not well understood. It is time dependent and changes considerably for samples with different growth history. This has to be discussed in terms of nucleation, glide velocity and blocking of misfit dislocations. We have investigated these phenomena at samples with SiGe layer thicknesses ranging from 60 nm up to 120 nm grown by molecular beam epitaxy (MBE) or chemical vapor deposition (CVD) by means of X-ray topography. The samples were annealed at temperatures between 500° and 600° C. Nucleation of misfit dislocations is heterogeneous and the rate is obviously dependent on layer strain and thickness. A quantified nucleation rate was not yet accessible, mainly due to the preferential formation of dislocation bundles. The propagation velocities of misfit dislocation segments were measured during annealing by means of synchrotron radiation plane wave topography (reflection geometry). The values agree well with theory and there is no evidence that they depend on growth regime. It is shown that the interaction of propagating misfit dislocations with crossing ones may lead to blocking or cross slip in different glide systems. These results are corroborated by investigations with atomic force and transmission electron microscopy.     

Defect Structure of Strained Heteroepitaxial In(1—x)Al(x)P Layers Deposited by MOVPE on (001) GaAs Substrates

Weak-beam, large angle convergent beam electron diffraction and high resolution transmission electron microscope experiments have revealed, that after strain relaxation due to plastic deformation dislocation networks can be observed in In_(1—x)Al_(x)P heteroepitaxial layers grown on (001) GaAs substrates under compressive stress. The 60° slip dislocations are mostly dissociated into partials of Shockley type whereas in the particular case of layers grown under tension twins are predominantly formed by successive nucleation and slip of 90° Shockley partials on adjacent {111} glide planes lying inclined to the (001) surface. When a few 90° Shockley partials pile up during extension of twins, then planar incoherent twin boundaries with {112} coincidence planes have been formed during strain relaxation. Due to the space group symmetry ((InAl)P belongs to the space group F4-3m) there is a striking asymmetry in defect formation, i.e. defect nucleation and slip on the planes (111) and (1-1-1) slip of the [1-10] zone are preferred to nucleation and slip on the {111} planes of the [110] zone. Apparently, the occupacy of the atomic sites in the dislocation core with either group-III or group-V atoms is responsible for this behaviour. The nature of the defects implies that their spontaneous nucleation should have taken place at the growing surface. Under tensile strain the 90° Shockley partial is nucleated first and the 30° one trails. Under compressive strain this sequence is reversed. It is evident, for dissociated dislocations lying at the interface always the 30° partial, i.e. the partial with less mobility or with higher friction force, is detained near or directly in the interface. Thus, in layers grown under tension the stacking fault associated with the dissociated 60° dislocation lies inside the GaAs substrate. For layers grown under compression it is located inside the ternary layer.     

Misfit Strain Relaxation by Dislocations in InAs Islands and Layers Epitaxially Grown on (001)GaAs Substrates by MOVPE

The misfit dislocation configurations in InAs islands as well as in more or less continuous layers grown on (001) oriented GaAs substrates were studied by weak-beam and high-resolution electron microscopy. The islands are confined by {101} and {111} facets where the aspect ratio (height/lateral extension) can be affected by the growth conditions. It is possible to grow well-defined islands as well as relatively continuous layers by MOVPE under As-stabilized conditions. At constant deposition parameters the growth is characterized by islands of different sizes (but with constant aspect ratio) in various strain states depending on their dislocation content. Coherently strained islands without any dislocation can be observed for heights up to 23 ML InAs, or otherwise, up to a maximal island extension of about 12 nm (for the particular aspect ratio ≈︂0.585). With further increase of island height and lateral extension, the introduction of dislocations becomes favourable. Independent of the island size, the layer thickness and the dislocation density, a residual elastic strain of about ε^r = —0.8% remains after relaxation. This means, about 88% of the total misfit strain of ε = —6.686 × 10^—2 were compensated by Lomer dislocations. These sessile Lomer dislocations lie in the island interior only, where single 60° dislocations were observed exclusively in their near-edge regions. With increasing island size and/or layer thickness some close-spaced 60° dislocations occur additionally within the interfacial region. The Lomer dislocations that are always located 4 monolayers (ML) above the InAs/GaAs interfacial plane result from the well-known fusion of two 60° slip dislocations. These 60° dislocations have been nucleated 7 … 8 ML above the interface at surface steps on the {111} facets confining the islands. Based on our experimental observations a new mechanism is proposed that explains the origin of these 60° dislocations. Their further fusion to sessile Lomer dislocations that compensate the misfit strain most efficiently occurs in the way as commonly accepted.     

Dynamic aging of dislocations in materials with a high crystalline relief: Competition between diffusion and impurity entrainment

A model of the dynamic interaction of dislocations with the impurity subsystem of crystals that have a high lattice potential relief (Peierls barriers) has been developed. It is shown that the microscopic structure of migration barriers for impurities near a dislocation core may cause qualitatively different behavior of the impurity atmosphere on a moving dislocation. It is justified that the impurity kinetics during atmosphere formation includes two stages. The first (initial) stage is fast and significantly nonequilibrium; it is followed by the second stage, characterized by a slower approach to equilibrium. The initial stage manifests itself at a sufficiently fast dislocation motion and may lead to an anomalous increase in the driving force (or the yield strength of the material) with an increase in the temperature in some range. Blocking of the dislocation motion by impurities may cause inverse brittle-ductile transition, which is observed in some materials with an increase (rather than the usual decrease) in temperature.     

Edge dislocation effect on optical properties in wurtzite ZnO

The effect of edge dislocations on optical properties in wurtzite ZnO is studied using a k·p multiband Hamiltonian model. An edge dislocation is modeled as a negatively charged line due to its electron-acceptor nature with an elastic strain field due to the lattice distortion around the dislocation. The electrostatic potential strength of the negatively charged dislocation depends on the filling fraction, which describes the fraction of acceptor sites occupied by trapped electrons along the dislocation line. To understand the effect of electrostatic potential strength, the filling fraction has been varied in this work. Using the calculated energy levels and wave functions for electrons and holes from the k·p multiband Hamiltonian, the spontaneous emission spectrum has been obtained as a function of dislocation density and filling fraction. The calculated results are compared with available experimental photoluminescence data. The band edge peak intensity decreases significantly with increasing dislocation density. It is found that the electrostatic potential strength does not affect the band edge peak emission, but it generates deep level emissions. For low filling fractions, corresponding to high temperature, the most commonly observed green luminescence is found. For a high filling fraction, corresponding to low temperature, the green luminescence shifts to red luminescence, which is consistent with experimental observation.     

Nature of dislocations promoting growth in liquid phase epitaxy of gallium arsenide

Dislocations promoting growth in the course of liquid phase epitaxy (LPE) of GaAs layers on GaAs substrates are analysed by X-ray topography. The Burgers vectors are determined by comparing double-crystal back-reflection images with calculated misorientations taking into account surface relaxation. Any dislocation which generates a spiral of elementary steps is found to have a Burgers vector component parallel to the macroscopic growth direction. The nature of these growth promoting dislocations may be between pure screw and pure edge type. Defects which might be responsible for the generation of the observed concentric growth step patterns are below the detection limit of current X-ray topography.