Generalized stacking faults in model lattice of ordered Fe-Si alloys

The energies of the generalized stacking faults lying on {110} and {112} planes are calculated for Fe-Si alloys with the DO₃ long-range order for concentrations 10–25 at. % Si. In the used model, the interaction between atoms is described by the series of three central interatomic potentials fitted to experimental data. The lattice relaxations perpendicular to the stacking fault plane are considered. The displacement vectors corresponding to stable antiphase boundaries are found and some consequences for the structure of superdislocations in the DO₃ superlattice are mentioned.The author is indebted to Dr. F.Kroupa and Dr. L.Lejek for valuable discussion.     

Magnetism in amorphous Fe-Si alloys

Fe-Si alloys have been obtained by the vapor quenching technique. Resistance measurements, electron microscopy and diffraction results are typical of an amorphous system. The Mössbauer spectra of these amorphous alloys, fitted in terms of a distribution of hyperfine fields, show the existence of a local magnetic order with, however, a proportion of weakly or even no coupled Fe atoms which is temperature and Fe-concentration dependent.     

Kinetics of spinodal decomposition in Fe-Si alloys

The spinodal decomposition in the two-phase region of the phase diagram (B₂ + DO₃) of Fe-Si alloys is studied on the basis of the generalized diffusion equation. The configurational free energy is calculated in the Bragg-Williams-Gorsky approximation. The effect of the coherency strain energy is estimated. In the main part of the paper the Langer's method is applied in the investigation of the coarsening rate in Fe-Si system with a good agreement with experimental data in a broad range of annealing times. The limitations of such approach are discussed with respect to the Khachaturyan's theory of the periodic distributions of decomposition products.The author is grateful to Dr. F.Kroupa for his guidance and encouragement during the course of this work, to Dr. S.Libovický and Dr. A.Gemperle for discussions of their latest experimental results.     

Positron annihilation in dilute Fe-Al and Fe-Si alloys

The effect of plastic deformation on positron annihilation in Fe-Al and Fe-Si alloys was investigated. The results are explained in terms of positron interaction with centers of two types as well as in terms of the subsequent positron trapping.     

Elastic properties and model atomic interactions in Fe-Si alloys

The elastic constants and the lattice parameter of the Fe-Si alloy crystals are calculated in the concentration range 0–25 at.% Si. The interaction between atoms is described by two series of three potentials for the atomic pairs Fe-Fe, Si-Si, Fe-Si which are determined by fitting to the experimental data. The ordering reaction above 10 at.% Si causes such a change in the interaction that the second series of three potentials has to be introduced. A good agreement between theoretical and experimental concentration dependences of the elastic constants and the lattice parameter is reached.     

Metastable states in ternary ordered alloys

The Gorskii-Bragg-Williams approximation is employed in a theoretical study of certain features in the atomic distribution in ternary ordered alloys having fcc lattices. The effect of various parameters in the interatomic interactions and of the concentration of the third alloying element are studied for their influence on the formation of metastable states in these alloys.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 6, pp. 31–34, June, 1971.     

The lattice deformation and the energy of antiphase boundaries in Fe-Si alloys

The lattice deformation across the antiphase boundary and the energy of both types (a/2111 anda(100) of antiphase boundaries lying in {110} plane are calculated using a series of three interatomic potentials fitted to experimental data. It is shown that the relaxation of atomic planes in the vicinity of antiphase boundary is important for thea/2111 antiphase boundary and is negligible for a 100 antiphase boundary in the DO₃ structure.The author is grateful to Dr. F.Kroupa and to Dr. A.Gemperle for valuable discussions.     

Highly oriented thin oxide films on single crystals of Fe-Si alloys

Under certain oxidation conditions, highly oriented oxide films grow on single crystals of some Fe-Si alloys. A typical two-phase film of this kind was studied in order to reveal the orientational relationships between-Fe₂O₃ and Fe₃O₄ on the (001) surface of the substrate. The orientational relationships were determined from reflection high-energy electron diffraction patterns where reflections from both oxides were present.The authors are indebted to Ing. B. esták and Ing. S. Kadeková who made possible the preparation of single-crystalline samples of Fe-Si alloys in the Institute of Physics, Czechoslovak Academy of Sciences; to Dr. M. Rozsíval (Institute of Solid State Physics, Czechoslovak Academy of Sciences) who enabled the authors to use the electron diffraction apparatus; and to Dr. A. Línek (Institute of Solid State Physics, Czechoslovak Academy of Sciences) for helpful discussion.     

Cellular theory of ordered AB alloys

The heat and volume of formation of ordered simple metal AB alloys are calculated using the density functional formalism. A new method is proposed in which the alloy is partitioned into cells defined by surfaces on which the gradient of the electron density vanishes. The total alloy energy is formulated in terms of cellular and Madelung contributions and is minimized subject to the constraint of equal A and B cell boundary densities. Quantitative results for LiMg are presented.     

An experimental study of anti-phase boundaries contrast of Fe-Si alloys in superlattice reflexions

Thin foils of ordered alloys of different composition are studied by transmission electron microscopy. The contrast on antiphase boundaries 1/4a ₀ ^′ 〈111〉, 1/2a ₀ ^′ 〈100〉 is compared with contrast theories. It is shown that the dependence of the contrast profile on the deviation parameter from the Bragg reflexion position and the thickness of the foil for oblique boundaries is qualitatively in agreement with the theory. On nearly perpendicular boundaries the observed dependence of contrast is qualitatively the same for higher silicon contents. For lower silicon contents, however, only dark contrast (in the dark field image) is observed for all values of the deviation parameter and foil thickness. This behaviour of nearly perpendicular boundaries at lower silicon contents is explained by the existence of a disordered layer of finite thickness in the boundary. The disordered layer also causes the anomalous contrast of 1/2a ₀ ^′ 〈100〉 boundaries in S₂ reflexions for which zero contrast is predicted by the theory. In contrast to the idealized model of a boundary of this type with disordered second nearest neighbours only, the experiments show also some disorder of the first nearest neighbours. Finally, examples of complicated fringe contrast are shown which can possibly be interpreted as many-beam cases with superlattice and fundamental reflexions excited simultaneously.     

The distribution of silicon in single crystals of Fe-Si alloys grown from the melt

A method of measuring the distribution of the silicon concentration in single crystals of Fe-Si alloys was elaborated on the basis of determining the relative Seebeck coefficient of these alloys with respect to the reference metal. The dependence of the relative Seebeck coefficient of Fe-Si alloys versus copper on the concentration of silicon was measured in the range of 2–12 weight % Si. The distribution of silicon in a series of single crystals of Fe-Si alloys grown from the melt was also determined.The author thanks the members of the department of the mechanical properties of solids of the Institute of Physics, Czechoslovak Academy of Sciences, and especially the head of the department, Ing. B. esták, CSc., for making it possible to prepare the single crystals and for discussion of the paper. He also thanks Dr. M. Matyá, CSc., for valuable remarks and Ing. Z. Kubita for passing on his experience in the use of the measuring method. He is indebted to members of the analytical laboratory of the State Research Institute for Materials Protection, the analytical laboratory of the Metals Research Institute and the chemical department of the. Institute of Physics, Czechoslovak Academy of Sciences, for careful analyses of the samples.     

Ferromagnetic transition in ordered double perovskites and related alloys

We study the electronic and magnetic properties of ordered perovskites Sr ₂FeMO₆ (where M is a transition metal), among which some compounds, like Sr₂FeMoO₆ are half-metallic with high Curie temperature while Sr₂FeWO₆ is an antiferromagnetic insulator. Using a double exchange type model with an interaction between localized spins and conduction electrons together with a tight-binding Hamiltonian and the renormalized perturbation expansion method, we study the behavior of T_c as a function of the number of conduction electrons and also as a function of the Fe-M energy difference. We also consider the Sr₂FeMo_xW_1-xO₆ compounds which present a magnetic and metal-insulator transition as a function of doping.     

Correlation effects in gas absorption by binary ordered alloys

The equilibrium concentration of a gas dissolved in a binary ordered alloy with bcc lattice in the presence of short-range order in both the host system and in the system of host and impurity atoms is computed. It is shown that the correlation in filling the lattice sites by atoms of the alloy is manifested in the solubility only because of the volume effect associated with the dependence of the host and impurity atom interaction energy on the lattice parameter. In alloys in which the solubility increases in the disordered state with rise in temperature, a solubility extremum can be observed in the area of the order-disorder transition point because of the change in the degree of long-range order upon the introduction of the third component. If the transition into the ordered state is accompanied by the growth of absorption, a maximum appears in the temperature dependence of the solubility, otherwise a minimum. Singularities in the solubility associated with the gas not being ideal are examined.Presented at the All-Union Seminar on Hydrogen in Metals (Donetsk, 1977).Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 75–82, February, 1978.     

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 special features of ferromagnetism in ordered Heusler alloys

The electronic structure and magnetic properties of the Cu₂MnA, Ni₂MnA, Pd₂MnA, Co₂MnA, and Fe₂FeA compounds with cubic lattices, where A is a nontransition element anion (A=Al, In, Ge, As, Sn, Si, or Sb), are studied. An analysis is performed in terms of the generalized Hubbard model with an infinite electronic repulsion energy within the same atom. Equations for determining the spin magnetic susceptibility of the compounds are obtained. These equations are used to determine the conditions of ferromagnetic instability and to construct the phase diagram for the existence of ferromagnetic ordering.