Self-organization of the structure in the Cu60Fe40 composite during deformation-thermal treatment

The deformation-thermal stability of a clusterized amorphous-crystalline structure prepared from a Cu₆₀Fe₄₀ powder mixture at a logarithmic strain e = 4.6 and subjected to isochronous (40 min) annealings at T _a = 200–800°C has been investigated. Periodic changes (ΔT = 300°C) in the order and disorder with a maximum ordering at T _a = 300 and 600°C and a maximum disordering at T _a = 400 and 700°C have been observed. The periodicity of the dominant crystallographic order with a period ΔT = 400°C in the annealing temperature has been revealed for face-centered cubic copper phase planes separated by a singular point at T = 500°C characterized by the dominant body-centered cubic iron phase ordering. It has been shown that the sawtooth shape of the size distribution of strain clusters formed within the crystal structure of deformed samples slowly changes with increasing annealing temperature from exponential (T _a = 200–700°C) to linear (T _a = 800°C). This indicates a high density of internal local distortions in structural units.     

Mechanochemical synthesis in the Ni-Al-C system

Specific features of the phase formation during mechanochemical synthesis of mixtures of elementary components, Ni, Al, and graphite, in an atomic ratio of 2:1:1 and a mixture of the intermetallic compound Ni₃Al and graphite (1:1) have been considered. It is shown that nanocrystalline (D = 4–6 nm) three-component solid solutions Ni(Al, C) with identical lattice constants (a = 0.366 nm) are formed during mechanosynthesis, independent of the initial components. Annealing at a temperature of 800°C for 2 h leads to decomposition of solid solutions into three phases: double carbide Ni₃AlC_0.46 (a = 0.3592 nm), solid solution Ni(Al, C) with the lattice constant 0.3546 nm, and graphite with the lattice constants a = 0.2461 nm and c = 0.660 nm.     

Solid-state synthesis and atomic ordering in thin Cu/Au films (atomic ratio, Cu : Au = 3 : 1)

In situ transmission electron microscopy investigations of the processes of solid-state synthesis and atomic ordering in bilayer Cu/Au nanofilms (atomic ratio, Cu: Au = 3: 1) are conducted. It is found that solid-state synthesis starts at 170°C. A Cu₃Au atomic-disordered structure (Fm3m space group; lattice constant, a = 3.76 ± 0.01 Å) forms at 280°C. Annealing the film for 1 hour at 380°C produced a Cu₃AuI (L1₂ type) atomic-ordered superstructure, a Pm-3m space group, and lattice constant, a = 3.76 ± 0.01 Å in the bulk of the film.     

Universality in the partially anisotropic three-dimensional Ising lattice

Using transfer-matrix extended phenomenological renormalization-group methods, we study the critical properties of the spin-1/2 Ising model on a simple-cubic lattice with partly anisotropic coupling strengths \(\mathop J\limits^ \to = (J',J',J)\). The universality of both fundamental critical exponents y _t and y _h is confirmed. It is shown that the critical finite-size scaling amplitude ratios \(U = A_{\chi ^{(4)} } A_\kappa /A_\chi ^2 ,Y_1 = A_{\kappa ''} /A_\chi\), and \(Y_2 = A_{\kappa ^{(4)} } /A_{\chi ^{(4)} }\) are independent of the lattice anisotropy parameter Δ=J′/J. For the Y² invariant of the three-dimensional Ising universality class, we give the first quantitative estimate Y²≈2.013 (shape L×L×∞, periodic boundary conditions in both transverse directions).     

Divacancy complexes induced by Cu diffusion in Zn-doped GaAs

Positron annihilation spectroscopy was applied to investigate the nature and thermal behavior of defects induced by Cu diffusion in Zn-doped p-type GaAs crystals. Cu atoms were intentionally introduced in the GaAs lattice through thermally activated diffusion from a thin Cu capping layer at 1100 °C under defined arsenic vapor pressure. During isochronal annealing of the obtained Cu-diffused GaAs in the temperature range of 450?850 K, vacancy clusters were found to form, grow and finally disappear. We found that annealing at 650 K triggers the formation of divacancies, whereas further increasing in the annealing temperature up to 750 K leads to the formation of divacancy-copper complexes. The observations suggest that the formation of these vacancy-like defects in GaAs is related to the out-diffusion of Cu. Two kinds of acceptors are detected with a concentration of about 10¹⁶ ? 10¹⁷ cm^?3, negative ions and arsenic vacancy copper complexes. Transmission electron microscopy showed the presence of voids and Cu precipitates which are not observed by positron measurements. The positron binding energy to shallow traps is estimated using the positron trapping model. Coincidence Doppler broadening spectroscopy showed the presence of Cu in the immediate vicinity of the detected vacancies. Theoretical calculations suggested that the detected defect is V _Ga V _As-2Cu_Ga.     

Single-vacancy induced motion of a tracer particle in a two-dimensional lattice gas

We study the random motion of a tracer particle in a two-dimensional dense lattice gas. Repeated encounters of asingle vacancy displace the tracer particle from its initial position by a vector y of which we calculate the time-dependent distributionP _t(y). On an infinite lattice and for large times $$P_t (y) \simeq \frac{{2(\pi - 1)}}{{\ln t}}K_0 \left( {\left( {\frac{{4\pi (\pi - 1)}}{{\ln t}}} \right)^{1/2} y} \right)$$ whereK ₀ is a modified Bessel function. The same problem is studied on a finiteL×L lattice with periodic boundary conditions; thereP _t(y) is shown to be a Gaussian on a time scaleL ² InL. On an ∞×L strip and for large times,P _t(y) is an explicitly given (but nonelementary) function of the scaling variable ξy ₁/t ^1/4, identical to the function occurring in the problem of a random walker on a random one-dimensional path.     

Measurement of the lattice parameter of sodium by neutron-back-scattering

We report high precision results (δa/a ≈ 3 x 10^-6) of the lattice parameter of high purity sodium (99.99%) in the temperature region from 32°C up to the melting point. Data of the crystal quality are also given: the half width of the angular mosaic spread amounts to about 4'. Preliminary results on vacancy formation energy and entropy, using literature data of volume expansion, are 0.35 ± 0.02 eV and (3.7 ± 0.5) k_B resp. for a single vacancy.     

Thermodynamic characteristics of the thermal polymerization of perfluoropropylvinyl ether at high pressures

The limiting polymerization temperatures of PFPVE at pressures 5.28–10.56 kbar (T _c = 200°C at 7.04 kbar and T _c = 240°C at 10.56 kbar) are measured. The volume of reaction ΔV and enthalpy of polymerization ΔH are determined.     

Photoluminescence in germanium with a quasi-equilibrium dislocation structure

The dislocation-related photoluminescence of n-Ge single crystals with a quasi-equilibrium structure of 60° dislocations is investigated at a temperature of 4.2 K. It is shown that the dislocation-related photoluminescence spectra are described by a set involving from 8 to 13 Gaussian lines with a width of less than 15 meV. With due regard for the data available in the literature, the Gaussian lines with maxima at energies in the range 0.47 < E _m ≤ 0.55 eV are assigned to the emission of 90° Shockley partial dislocations involved in quasiequilibrium segments of 60° dislocations with different values of the stacking fault width Δ (Δ = Δ₀, Δ < Δ₀, and Δ > Δ₀). It is revealed that the d8 line at the energy E _m = 0.513 eV, which corresponds to the emission of straight segments with the equilibrium stacking fault width Δ₀, dominates in the photoluminescence spectra only at dislocation densities N _D < 10⁶ cm^?2. As the dislocation density N _D increases, the intensity of the d8 line decreases with the d7 line (E _m ≈ 0.507 eV) initially and the d7 and d6 lines (E _m ≈ 0.501 eV) then becoming dominant in the photoluminescence spectrum. The d7 and d6 lines are attributed to the emission of segments with stacking fault widths Δ < Δ₀. Possible factors responsible for the formation of stacking faults with particular widths Δ ≠ Δ₀ for quasi-equilibrium dislocations are discussed.     

Critical properties of high-spin Ising models on anisotropic lattices

The coordinates of the critical points of spin-S Ising models with coupling constants J and J′ are calculated for 1/2 ≤ S ≤ 13/2. The calculations are performed for several values of S and Δ ≡ J′/J independently by using the phenomenological renormalization-group method or (approximate) self-duality. Numerical results combined with a mean-field analysis show that the critical coupling strength for Δ ～ 1 (weakly anisotropic lattice) is K _c ^(S) (Δ) = K _c ^(S) (1)[1 + a(1 ? Δ)], where a = (d ? 1)/d is independent of S (d is the space dimension). Both free energy and internal energy are determined at the critical points. An extremum of the critical internal energy is found at Δ* ∈ (0, 1). The parameter Δ* can be used as a criterion that separates quasi-isotropic and quasi-one-dimensional regimes (Δ* < Δ ≤ 1 and Δ < Δ*, respectively). The finite-size scaling amplitudes A _s and A _e of the inverse spin-spin and energy-energy correlation lengths are estimated. Calculations show that the amplitudes A _s and A _e are independent of S within the accuracy of the adopted approximations. Moreover, their ratio A _e/A _s is independent of the anisotropy parameter Δ. These results support the Ising universality hypothesis.     

The thermoelectric power in AgxTiS2 and AgxNiPS3. Part II. The ionic component of the thermoelectric power

The EMF of the isothermal cells: Ag/AgI/Ag_xTiS₂: 0<x<1, T=150–200°C/Ag_xNiPS₃: 0<x<3, T=150–350°C has been measured. From the EMF-x curves the existence ranges of the 2-phase (stage I and II) regions ?0.16<x<0.32 for the Ag/Ag_xTiS₂ system at 190°C; 0.20 < x < 0.50 and 1 < x < 2 for the Ag/Ag_xNiPS₃ system at 400°C - have been determined. The results are sustained by X-ray diffraction and electrical conductivity measurements. From the EMF-T curves the partial enthalpy (ΔH?_Ag) and entropy (ΔS?_Ag) of dissolution of silver in the Ag_xSSE (solid solution electrode) materials were obtained. In the case of Ag_xTiS₂, ΔH?_Ag has a low absolute value, while ΔS?_Ag is distinctly positive. The EMF of the Ag/Ag_xNiPS₃ system also has a positive temperature coefficient. Furthermore, the ionic component of the thermoelectric power, ΔE/ΔT, of the thermogalvanic cells: Ag/AgI/Ag_xSSE/AgI/Ag Ag_xTiS₂: 0 < x < 1, T = 150–200°C( T ) (T+ΔT) Ag_xNiPS₃: 0 < x < 1, T= 150–350°C has been measured. The kinetically important heat of transport of silver ions in the Ag_xSSE materials has been determined in two ways: first from the dependence of the ionic Seebeck coefficient (?_Ag+) on reciprocal temperature; and second from direct calculation, using the data for ?_Ag+ and ΔS?_Ag. The heat of transport is much smaller than the activation enthalpy for Ag⁺-conduction, indicating a high ionic polaron binding energy in these materials.     

Investigation of semicoherent interactions of 1-GeV protons with silicon

An experiment on studying the ²⁸Si(p, p′ γ ₀ X)²⁴Mg semicoherent reaction is carried out at the MAG setup on the 1-GeV proton beam of the U-10 ITEP accelerator. Two particles, proton and γ-ray photon, which accompanies the transition of the ²⁴Mg* nucleus from the first excited state to the ground state, are detected. When the events with the proton emission angle from 3° to 6.5° are selected, the following four processes are observed: the direct knockout of a nuclear α cluster by a proton, the formation of a _ΔSi isobaric nucleus, the formation of a Δ₁₂₃₂ isobar, and the production of a π ⁰ meson at rest in the nuclear coordinate system. The cross sections for the indicated processes are obtained.     

M-Zentrenbildung in röntgenbestrahlten KCl-Kristallen

The production of F- and M-centres in KCl by X-irradiation has been studied at temperatures between ?20 °C and 50 °C. The optical absorption measurements could be conducted without interrupting the X-irradiation. The results can be summarized as follows: 1. In Harshaw KCl crystals the number of F-centres created by the so-called fast coloration process was proportional to the height of the absorption band at 204 mμ prior to the irradiation. 2. The F-centres formed by the fast process did not contribute to the formation of M-centres. 3. In crystals with a strong absorption band at 204 mμ unstable M-centres were observed, which decayed rapidly after the cessation of the X-irradiation. Their concentration was found to be independent of the F-centre concentration. 4. At temperatures below 0 °C the relation between the concentration of the stable M-centres and the F-centre concentration could not any longer be represented by [M]=k ₁₂·[F₁]·[F₂]+k ₂₂·[F₂]², F₁ and F₂ referring to the F-centres created respectively by the fast and the slow coloration process. Except at very low F₂-centre concentrations however the relationship [M]=k ₀+k ₂·[F₂]² represented the experimental data at all temperatures between ?20 °C and 50 °C. At constant temperaturek ₂ varied withL, the X-ray energy absorbed per unit time and unit volume, according to 1/k ₂=a+bL+cL ². The temperature dependence ofa ^?1 b ^?1 andc ^?1 could be approximated by Boltzmann factors. The corresponding activation energies wereE _a=0.12 eV,E _b=0.53 eV,E _c=0.97 eV.     

EPR study of radical anions of C60 and C70

Utilizing highly polar solvents for the stabilization of Fullerene anions, electrochemical and chemical reduction resulted in narrow single line EPR spectra for the monoanions of C₆₀ and C₇₀ being characterized byg=2.0001(1), ΔB=0.075 mT,g=2.0019(1), ΔB=0.016 mT, respectively. Apparently, the orbital degeneracy of the C₆₀ monoanion is lifted under these conditions to such an extent, that the abnormal large spin lattice relaxation rate believed to be responsible for the approximately 5 mT line width of the monoanion is sufficiently reduced.¹³C enrichment resulted in noticeable line broadening, allowing an estimate of the average¹³C hyperfine coupling constanta _ave=0.1 mT.     

Mößbauereffekt in Eisenstilben und FeCl2·H2O

Using Mößbauer effect measurements in the temperature range between 3 °K and 310 °K the magnetic fields at the nucleus in iron-stilbene, FeCl₂·H₂O and FeCl₃ are determined to beH _T=0=(250±10) kOe, (252±18) kOe and (468±10) kOe; a Néel-temperature ofT _N=(23±1) °K is measured for iron-stilbene. The electric quadrupole splittings atT=0 °K for iron-stilbene and FeCl₂ ·H ₂ O, ΔE=(+2.52±0.02) mm/sec and (+2.50±0.05) mm/sec, yield electric field gradients at the iron nucleus ofq _z=+9.7·10¹⁷ V/cm² and +9.6·10¹⁷ V/cm², whereq _z⊥H; Debyetemperatures of θ=162 °K and 188 °K are obtained. The energy of the excited 3d-electron levels in iron-stilbene is estimated to Δ₁=309 cm^?1 and Δ₂=618cm^?1 as deduced from the temperature dependence ofΔE. In contrast to the suggestion ofEuler andWillstaedt bivalence of the iron in ironstilbene is found; its composition is shown to be 4(FeCl₂ ·H ₂O)·stilbene.     

Thermolumineszenz von KCl und NaCl nach Röntgen- und UV-Bestrahlung bei Heliumtemperatur

Glow curves of luminescence are recorded in the range from 10° K to 300° K. One gets characteristic changes by prior annealing the single crystals in O₂ or HCl. Also an increase of the lattice disorder causes new glow bands. In KCl a strong glow band always appears at 40° K after irradiating with X-rays or ultraviolet light in the range of the exciton bands. It is ascribed to trapped excitons, which become mobile at that temperature. For X-ray irradiated KCl the glow curve of luminescence is compared with the electrical glow bands and with the concentration change of known defects. The half widthΔT of all glow bands is found proportional to the temperature of the maximum:ΔT=(0.08±0.02)T _m .     

Elastic constants and Debye temperature of wz-AlN and wz-GaN semiconductors under high pressure from first-principles

First-principles calculations were performed to study the elastic stiffness constants (C _ij ) and Debye temperature (?? _D) of wurzite (wz) AlN and GaN binary semiconductors at high pressure. The lattice constants were calculated from the optimized structure of these materials. The band gaps were calculated at Γ point using local density approximation (LDA) approach. The unit cell volume, lattice parameters, c/a, internal parameter (u), elastic constant (C _ij ), Debye temperature (?? _D), Hubbard parameter (U) and band gap (E _g) were studied under different pressures. The bulk modulus (B ₀), reduced bulk modulus ( \(B_{0}^{\prime })\) and Poisson ratio (υ) were also calculated. The calculated values of these parameters are in fair agreement with the available experimental and reported values.     

Quadrupole splitting of Fe(II) spin crossover compounds study of temperature and pressure dependence and the implication for the interaction mechanism

The temperature and pressure dependence of the quadrupole splitting ΔE _Q of the 3/2→1/2 nuclear Mössbauer transition of⁵⁷Fe in the spin crossover compounds [Fe _x Zn_1?x (2-pic)₃]Cl₂?EtOH and the deuterated analog [Fe _x Zn_1?x (2-pic-ND₂)₃] Cl₂?EtOD (2-pic=2-picolylamine) have been studied. The change of ΔE _Q can be linearly related to the defomation of the lattice as observed by X-ray measurements. The dependence of ΔE _Q on temperatureT, pressurep, and the fraction γ of molecules in the electronic high spin state in the pure iron (x=1) compounds is therefore interpreted as a result of the change of the lattice contribution to the electric field gradient (EFG) at the nucleus only. The intrinsic EFGs of the molecules remain unchanged under the cooperative interaction of the spin crossover complex molecules. This fact is consistent with a simple elastic interaction between the complexes rather than a Jahn-Teller-type of interaction also discussed in the literature.     

Post-collision interaction in inner-shell ionisation of ArL 3 by electron impact

The shifts and shapes of ArL ₃ Auger lines due to the post-collision interaction (PCI) in the inner-shell ionisation of theL ₃-shell of argon by electron impact have been measured for the range of excess energiesE ₁=10 to 1,500 eV. The experimental shifts {ie67-01} could be fitted by a relation {ie67-02} withc=(5.3±0.4) andn= (?0.45±0.04) whereГ(ArL ₃)=130 meV is the ArL ₃-level width. In a classical model the PCI shifts have been calculated for two limiting cases:a) whereE ₁ is large enough (E ₁>50 eV) for the motion of the two slow electrons to be treated as uncorrelated, andb) forE ₁→0. The calculated shifts forE ₁=250, 750 and 1,750 eV are in good agreement with the experimental results. Also the calculated PCI distorted shapes of Auger lines for differentE ₁ agree reasonably with the experimental Auger line shapes.