Investigation of changes in the order parameters near antiphase boundaries in the Cu<Subscript>3</Subscript>Au alloy

Investigation of the specific features of order-disorder structural phase transitions in ordering alloys in the presence of antiphase boundaries of conservative and nonconservative types has been performed in a computer experiment by the example of the model Cu₃Au alloy. The distributions of the long-range and short-range order parameters in the planes parallel to antiphase boundaries have been obtained by the Monte Carlo method for different temperatures. The mechanisms of disordering near conservative and nonconservative boundaries in ordering alloys are revealed. It is shown that the effect of diffusion of superstructural parameters is significant near nonconservative antiphase boundaries in comparison with conservative boundaries. Obviously, nonconservative boundaries can make a relatively large contribution to the effect of positive temperature dependence of the yield strength of ordering alloys with the L1₂ superstructure.     

Atomic configuration of antiphase boundaries in alloys

Computer simulation methods in the approximation of pairwise interatomic Morse potentials are used to calculate the atomic configurations and the energy of formation of 1/2 <110> {111} antiphase boundaries in ordered Cu₃Au and Ni₃Fe alloys. Atomic displacements result in considerable smearing of the first five planes closest to an antiphase boundary and a slip of atomic planes. These effects substantially reduce the energy of formation of antiphase boundaries. The influence of the size factor on the atomic configuration on the antiphase boundaries is discussed.Translated from Izvestiya Vysshykh Uchebnykh Zavedenii, Fizika, No. 2, pp. 43–47, February, 1985.In conclusion, the authors express their thanks to A. I. Tsaregorodtsev for useful discussion of this work.     

Asymmetrical twin boundaries and highly dense antiphase domains in BaNb0.3Ti0.7O3 thin films

Asymmetrical twin boundaries and highly dense antiphase domains were identified by means of transmission electron microscopy in a perovskite-based BaNb_0.3Ti_0.7O₃ thin film grown by laser molecular beam epitaxy on a SrTiO₃ (001) substrate. The microstructural characteristics of the BaNb_0.3Ti_0.7O₃ film were clarified in terms of lamellar {111} twins and antiphase domains, the domain boundaries of which are 1/2?110? stacking faults. It is proposed that the intersections of (111) twinning with the antiphase domain boundaries result in the asymmetrical twin boundaries.     

Special features of the deformation-induced order-disorder phase transition and its modeling

Methods of x-ray diffractometry are used to investigate the influence of plastic deformation on the state of the long-range order in alloys with the L1₂, L1₂(M), and L1₂(MM) superstructure. It is demonstrated that the heterogeneous order-disorder phase transition accompanied by intensive accumulation of antiphase boundaries occurs under plastic deformation. The antiphase boundaries play an important role in the destruction of long-range order. Based on the available experimental results, a model of destruction of long-range order is constructed that takes into account the dislocation mechanisms of accumulation of antiphase boundaries under deformation. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 9–24, January, 2006.     

Adsorption of doping elements at antiphase boundaries in ordered ternary alloys

A discussion is presented of the theory for the adsorption of doping elements at 1/2 111 {110} antiphase boundaries in ordered ternary alloys with bcc lattices. It is shown that there may may be a significant segregation of the doping elements at the antiphase boundaries; conditions for the formation of segregations at antiphase boundaries in ternary alloys are obtained and analyzed.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, Vol. 12, No. 3, pp. 32–42, March, 1969.     

The role of antiphase boundaries during ion sputtering and solid phase epitaxy of Si(0 0 1)

The Si(0 0 1) surface morphology during ion sputtering at elevated temperatures and solid phase epitaxy (SPE) following ion sputtering at room temperature has been investigated using scanning tunneling microscopy. Two types of antiphase boundaries form on Si(0 0 1) surfaces during ion sputtering and SPE. One type of antiphase boundary, the AP2 antiphase boundary, contributes to the surface roughening. AP2 antiphase boundaries are stable up to 700 °C, and ion sputtering and SPE performed at 700 °C result in atomically flat Si(0 0 1) surfaces.     

Spin-polarized transport across sharp antiferromagnetic boundaries

We report spin-polarized transport experiments across antiphase domain boundaries which act as atomically sharp magnetic interfaces. The antiphase boundaries are prepared by growing Fe(3)O(4) epitaxially on MgO, the magnetic coupling over a large fraction of these boundaries being antiferromagnetic. Magnetoresistance measurements yield linear and quadratic field dependence up to the anisotropy field for fields applied parallel and perpendicular to the film plane, respectively. This behavior can be explained by a hopping model in which spin-polarized electrons traverse an antiferromagnetic interface between two ferromagnetic chains.     

Anisotropic magnetoresistance in lightly doped La(2)-(x)Sr(x)CuO(4): impact of antiphase domain boundaries on the electron transport

Detailed behavior of the magnetoresistance (MR) is studied in lightly doped antiferromagnetic La(1.99)Sr(0.01)CuO(4), where, thanks to the weak-ferromagnetic moment due to spin canting, the antiferromagnetic (AF) domain structure can be manipulated by the magnetic field. The MR behavior demonstrates that CuO(2) planes indeed contain antiphase AF-domain boundaries in which charges are confined, forming antiphase stripes. The data suggest that a high magnetic field turns the antiphase stripes into in-phase stripes, and the latter appear to give better conduction than the former, which challenges the notion that the antiphase character of stripes facilitates charge motion.     

Influence of the antiphase domain structure on the long-range atomic order parameter in the Ni3Mn alloy with superstructure L12

The antiphase domain structure in the Ni₃Mn alloy with superstructure L1₂ with various manganese contents has been studied. It has been found that a deviation of the alloy composition from the stoichiometry leads to the formation of manganese oxides at the antiphase domain boundaries and grain boundaries. With an increase in the antiphase domain sizes, the domain size distribution function changes from the normal to lognormal, and the degree of long-range atomic order decreases.     

High-resolution electron microscopy studies of antiphase boundaries in Cu3Au

We report the results of a crystallographic analysis of antiphase boundaries (APB) in Cu₃Au obtained by using high-resolution electron microscopy. Our observations corroborate the conclusions of previous work, based on conventional electron microscopy, which indicate that antiphase boundaries are mainly located in the cube planes. We found that the deviation of the average APB orientation from the cube planes is related to the formation of kinks on an atomic scale. Moreover, the identification of the boundary plane shows that the APBs are mostly conservative. These results are discussed and interpreted in the framework of a pairwise potential approach with predominant nearest neighbor interactions.     

The problem of the structural characterization of nanoobjects: Incommensurate reflections and diffraction averaging

It is shown that two outwardly conflicting diffraction effects observed in ordering compositions with nanodimensional antiphase domains are of the same nature. The first effect manifests itself in the depression of some of superstructure reflections; the second is associated with the appearance of extra reflections incommensurate with the composition’s structure. The effects are stimulated by changes in the phases of scattered waves upon transitioning through antiphase boundaries.     

Vacancy concentration at antiphase boundaries in ternary ordered alloys

A theoretical study is made of the dependence of the vacancy concentration at antiphase boundaries in ternary ordered bcc alloys on the long-range order, the temperature, and the degree to which the atoms of the third (impurity) element interact with atoms of the other species. The theory is applicable to specific types of antiphase boundaries in ternary alloys corresponding to the quasibinary BA-BD section.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 1, pp. 119–124, January, 1970.     

The theory of equilibrium antiphase boundaries in ordered solid solutions of the AuCu3 type

The Gorsky-Bragg-Williams approximation gives expressions which determine the equilibrium values of the long-range-order parameter and the concentrations of components in the vicinity of the antiphase boundary 1/2 (110) {111} in an L1₂ super-structure of stoichiometric composition AB₃. On the assumption that the changes in the alloy due to the presence of an antiphase boundary are distributed over a great number of planes on both sides of the boundary, the long-range-order parameter and the concentration of components in these planes have been calculated. It is found that the long-range-order parameter at the antiphase boundary is considerably lower than it is in the matrix over a wide temperature range. The concentration of the components at the antiphase boundary under conditions of thermodynamic equilibrium is somewhat lower than the mean concentration in the alloy.Estimates are made of the critical stress for the start of superdislocations with equilibrium antiphase boundaries, the equilibrium width of the superdislocations, and the defect in the elastic modulus due to the reversible movement of the superparticle dislocations.     

T.E.M. study of Al2O3 metastable phases

Plasma spraying was employed to obtain rapidly solidified dense metastable alumina samples. They have been studied after being sprayed and in various annealed states by transmission electron microscopy and X-ray powder diffraction.

The so-called “γ” phase has been imaged by T.E.M. and exhibits a more or less ordered domain structure with quasi-periodic 1/4 <110> antiphase boundaries in the {100} planes of the defective spinel lattice.

Heating “γ” between 850 and 1050°C leads to more ordered intermediate phases. They are shown to appear through a two-dimensional antiphase periodic boundaries mechanism. Aluminum vacant sites are likely located along the antiphase planes and their concentration (Al_2.66□_0.33O₄) is consistent with the observed periodicities. The “δ” and “θ” forms are considered as variants of this structure.     

Antiphase boundary formation energies in L10 and L11 superstructures

We described an approach suitable for obtaining an analytical expression for the energy of an antiphase boundary in an ordered alloy in the hard sphere model using pair interatomic interaction potentials. Depending on the orientation of the antiphase boundary, the crystal is subdivided into two-dimensional monatomic packings parallel to the defect, and its energy is determined by the sum of the energies of the two-dimensional packings. The results of the calculations for antiphase boundaries of different orientations are given in the form of matrix expressions for each of the considered superstructures.Altai Polytechnical Institute. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 68–72, March, 1993.     

Etching of slip produced antiphase domain boundaries in iron-silicon alloys

A method for revealing the slip produced antiphase domain boundaries in nearly stoichiometric ordered Fe₃Si alloys by chemical etching in a solution of HF + H₂O₂ + H₂O is reported. The method was applied to determine the character of superlattice dislocations in strained crystals. Perfect superlattice dislocations were found at the beginning of deformation. Imperfect superlattice dislocations producing antiphase domain boundaries were found at higher deformations.     

The effect of antiphase domains on the energy spectra of special boundaries in alloys with the <Emphasis Type="Italic">L</Emphasis>1<Subscript>2</Subscript> superstructure

The special grain boundaries in ordering alloys with the L1₂ superstructure have been investigated by optical metallography and transmission diffraction electron microscopy. The relative energy of the boundaries Σ3 and Σ9 in Ni₃Fe alloy with a short-range order is determined. The energy of these boundaries in an alloy with long-range order is estimated. The energy of twin grain boundaries increases at the phase transitions A1 → L1₂ due to the formation of antiphase grain boundaries in those boundaries. The spectra of special boundaries over Σ and their distributions, depending on the relative energy, change as well. The average relative energy of special grain boundaries in alloys with the L1₂ superstructure increases with increasing the energy of antiphase boundaries.     

Evolution and properties of antiphase boundaries in silicate minerals

Experimental and observational evidence is reviewed for the mechanisms and kinetics of antiphase domain coarsening in silicate minerals. The expected rate law has the form (domain size)ⁿ ≈ annealing time, but the ideal value of n=2 has been observed in only one of three cases. Values of n≈8 or 10 are interpreted as implying adsorption of impurity atoms onto the antiphase boundaries. Diffusion of these impurities can then provide the rate determining step for boundary migration. Local ordering at the boundaries can also provide some stabilising influence, though this does not appear to affect the coarsening rate law. If the stabilisation is sufficient it might result in the development of an incommensurate superstructure, either as a stable phase or as a metastable phase under non-equilibrium conditions. The effective width of these boundaries appears to be ～ 25°, or approximately two unit cells, and their maximum effective interaction length appears to be ～ 4 times this width.     

Antiphase disorder in GaAs/Ge heterostructures for solar cells

Antiphase disorder in metal organic vapour phase epitaxy grown GaAs/(100)Ge heterostructures has been studied both in as-grown materials and in GaAs solar cells by chemical etching, transmission electron microscopy, and cathodoluminescence. All the samples are single domains at the surface due to the self-annihilation of antiphase domains whose size decreases as the misorientation angle increases. Completely antiphase domain-free epitaxy has been achieved for substrate miscuts greater than 3 degrees off towards [111]. A reversal in sublattice location has been found in the GaAs layers varying the misorientation angle and the growth temperature. A model to explain this result has been proposed based on the role of surface steps in the nucleation process. Strong interaction between antiphase boundaries and misfit dislocations has been found in all the heterostructures. In solar cells antiphase domains have been observed in high densities in the initial layer of GaAs deposited on Ge. The successful realisation of high efficiency solar cells is due to the overgrowth of these domains by single phase material over most of the wafer area.     

Effects of atomic size on antiphase boundary energy in solid solutions

The energy of an antiphase boundary has been calculated by means of Pines's elastic spheres method, as modified by incorporating the dependence of atomic size on the neighbors in the first coordination sphere, which represents an advance in the theory of ordered solid solutions. There is a reduction in the elastic strain energy when a nonequilibrium antiphase boundary is formed in CuZn, and if this is incorporated one obtains realistic values for the energies of such boundaries; in AuCu₃ the elastic strain energy increases the energy of an antiphase boundary of octahedral type. The change in the elastic strain energy in a nonequilibrium antiphase boundary constitutes a considerable part of the total energy change given by the quasichemical theory, and it introduces substantial corrections into the antiphase-boundary energy for CuZn and AuCu₃.