Role of magnetism in the formation of a short-range order in an Fe-Ga alloy

The formation of a short-range order in an Fe-Ga bcc alloy has been studied by Monte Carlo simulation with the use of effective interaction potentials calculated within the density functional theory for the ferromagnetic and paramagnetic states. It has been found that the pronounced short-range order of the D0₃ type is formed at Ga concentrations close to the boundary of the two-phase region at T < T _c, whereas no short-range order is observed at T < T _c. The results obtained are in agreement with the experimental X-ray diffraction analysis. The relation of the features of the short-range order in the Fe-Ga alloy to the magnetostriction value has been discussed.     

Effect of short-range atomic order on macroscopic magnetic properties of equiatomic FePd alloy

X-ray diffraction, magnetic measurements, and Mössbauer spectroscopy were employed to comparatively analyse the relation of the basic characteristics of highly anisotropic materials– coercive force H_c and Curie temperature T_C to the peculiarities of short-range atomic order that forms upon annealing of disordered samples of equaiatomic FePd alloys produced by different techniques (casting, melt-spinning, severe deformation). It is shown that for all samples, independently of methods of their preparation, the ordered states with the maximal values of coercivity are inhomogeneous in the composition of short-ordered regions, type of atomic ordering, and degree of tetragonality. The Curie temperature depends on the temperature and duration of annealing for ordering similarly to the conventional course of coercivity, which is peculiar to these alloys. The behaviour of these macroscopic characteristics (H_c and T_C) in the course of annealing is shown to correlate with changes in the local atomic configurations revealed in the Mössbauer spectroscopy experiments.     

Microstructure and magnetocaloric effect in cast LaFe11.5Si1.5Bx (x=0.5, 1.0)

Phase formation, structure, and the magnetocaloric effect (MCE) in as-cast LaFe_11.5Si_1.5B_x (x=0.5, 1.0) compounds have been studied. The Curie temperatures, T_C, are ∼211 and 230 K for x=0.5 and 1.0, respectively, which are higher than that of annealed LaFe_11.5Si_1.5 (T_C=183 K), while the maximum magnetic entropy changes at the respective T_C under a magnetic field change of 0-5 T are 7.8 and 5.8 J/(kg K). Wavelength dispersive spectrometry (WDS) analysis shows that only a small fraction of boron atoms is dissolved in the NaZn₁₃-type structure phase, and that the compositions of the as-cast LaFe_11.5Si_1.5B_x (x=0.5, 1.0) alloys are much different from the intended nominal compositions. These as-cast alloys exhibit second-order magnetic phase transitions and low MCEs. However, based on the relative cooling power, the as-cast LaFe_11.5Si_1.5B_x alloys are promising candidates for magnetic refrigerants over a wide temperature range.     

碳含量对Y-Ni-B-C超导相的形成与临界温度的影响

报道ThCr₂Si₂型结构的四元金属间化合物Y₂Ni₂B₂C_x的形成与超导电性.当碳配比含量x=0.9—1.2时,电弧熔炼的合金结晶为较好的YNi₂B₂C单相.当x＜0.8或x＞1.2时,合金中虽仍以YNi₂B₂C为主相,但杂相明显增加.超导转变温度T_c随碳含量增加明显分为两个台阶.x≤0.8时,T_c约为12.5K;x≥0.9时,T_c约为15K. 关键词：     

非晶态超导合金Zr87.7Si12.3中结构弛豫和结晶化对超导

对非易态超导合金Zr_87.7Si_12.3,在适当的温度下进行了lh等时退火处理.测量了其结构、超导临界参量T_c,H_(C2)及其转变宽度ΔT_c,ΔH_c2等的变化.发现些与金属-金属型非晶态合金不同的变化规律,并结合在结构弛豫过程中所发生的拓扑短程有序化和化学短程有序化,以及相应的结晶化机制,对实验结果作了讨论. 关键词：     

Formation of the polycrystalline FeSi phase with the CsCl structure in codeposited thin Fe x Si1 ? x films ( x = 0.5–0.6)

Specific features of the phase formation in the Fe-Si system within the Fe _x Si_{1 − x} (x = 0.5–0.6) concentration range have been investigated. The data obtained by conversion electron M?ssbauer spectroscopy suggest that, for the Fe-Si system in the concentration range x > 0.55, a polycrystalline FeSi phase with the CsCl structure is formed under thermodynamically equilibrium conditions upon annealing at T = 250°C; in this case, the excess (overstoichiometric) Fe atoms are incorporated into the Si sublattice. Previously, the CsCl-FeSi phase was observed only in epitaxially stabilized FeSi/Si(100) layers. Original Russian Text ? A.V. Zenkevich, D.E. Lauer, V.P. Filippov, 2007, published in Izvestiya Rossiiskoi Akademii Nauk. Seriya Fizicheskaya, 2007, Vol. 71, No. 9, pp. 1313–1315.     

Atomic displacements in the V<Subscript>52</Subscript>O<Subscript>64</Subscript> superstructure and the short-range order in superstoichiometric cubic VO<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> vanadium monoxide with metal vacancies

Atomic displacements in the lattice of the tetragonal V₅₂O₆₄ superstructure have been experimentally determined. It has been found that atomic displacement waves, which are attributed to the formation of the short-range displacement order, appear in the vanadium and oxygen sublattices of this superstructure. It has been shown that the V₅₂O₆₄ superstructure is formed on the basis of disordered superstoichiometric cubic vanadium monoxide with the short-range order in the metallic sublattice. The character of the short-range order is such that vanadium atoms occupying tetrahedral positions are in the environment of four vacant sites of the vanadium sublattice. This means that the superstoichiometric VO_>1.0 vanadium monoxide has a cubic structure differing from the B1-type structure characteristic of most of the strongly nonstoichiometric cubic compounds MX _y (X = C, N, O) of transition metals.     

Transport properties of antiferromagnetic fcc-iron alloys

A study is reported of the electrical resistance and thermopower of Fe_xNi_80−x Cr₂₀ fcc alloys within the 44⩽x⩽70 at. % range. It is shown that, at low temperatures, they typically exhibit minima in the temperature dependences of electrical resistance. The appearance of these anomalies is attributed to the formation of a gap in the conduction electron spectrum due to the onset of long-or short-range antiferromagnetic order in the alloys. The effect of magnetic field on the magnetic states appearing in frustrated antiferromagnetic alloys has been studied, and an H-T magnetic phase diagram constructed. Fiz. Tverd. Tela (St. Petersburg) 40, 101–105 (January 1998)     

Si–Ge alloys in C2/c phase with tunable direct band gaps: A comprehensive study

Si–Ge alloys are a new type of semiconductor material that are of great significance for the development of microelectronic technology, especially in the photoelectricity industry and for thermoelectric conversion in high temperature applications (>700 K). In the present work, a novel Ge allotrope in the C2/c phase with band gap of 1.102 eV was firstly proposed, which is suitable for the absorption of sunlight. C2/c-Ge are mechanically, dynamically and thermodynamically stable. A series of Si_24-xGe_x alloys (x = 0, 8, 16, 24) in the C2/c phase with band gaps of 1.10–1.50 eV are predicted by ab initio calculations at ambient conditions. The Si_24-xGe_x alloys (x = 0, 8, 16, 24) in C2/c phase have better absorption ability than that of the Si in diamond, hP12 and oC12 phases. The Si_24-xGe_x alloys in the C2/c phase have the strong absorption in the visible, which have a great impact on the new-generation photovoltaic applications.     

The effect of different temperature annealing on phase relation of LaFe11.5Si1.5 and the magnetocaloric effects of La0.8Ce0.2Fe11.5−xCoxSi1.5 alloys

The phase relation of LaFe_11.5Si_1.5 alloys annealed at different high-temperature from 1223 K (5 h) to 1673 K (0.5 h) has been studied. The powder X-ray diffraction (XRD) patterns show that large amount of 1:13 phase begins to form in the matrix alloy consisting of α-Fe and LaFeSi phases when the annealing temperature is 1423 K. In the temperature range from 1423  to 1523 K, α-Fe and LaFeSi phases rapidly decrease to form 1:13 phase, and LaFeSi phase is rarely observed in the XRD pattern of LaFe_11.5Si_1.5 alloy annealed at 1523 K. With annealing temperature increasing from 1573  to 1673 K, the LaFeSi phase is detected again in the LaFe_11.5Si_1.5 alloy, and there is La₅Si₃ phase when the annealing temperature reaches 1673 K. There almost is no change in the XRD patterns of LaFe_11.5Si_1.5 alloys annealed at 1523 K for 3-5 h. According to this result, the La_0.8Ce_0.2Fe_11.5−xCo_xSi_1.5 (0≤×≤0.7) alloys are annealed at 1523 K (3 h). The analysis of XRD patterns shows that La_0.8Ce_0.2Fe_11.5xCo_xSi_1.5 alloys consist of the NaZn₁₃-type main phase and α-Fe impurity phase. With the increase of Co content from x=0 to 0.7, the Curie temperature T_C increases from 180 to 266 K. Because the increase of Co content can weaken the itinerant electron metamagnetic transition, the order of the magnetic transition at T_C changes from first to second-order between x=0.3 and 0.5. Although the magnetic entropy change decreases from 34.9 to 6.8 J/kg K with increasing Co concentration at a low magnetic field of 0-2 T, the thermal and magnetic hysteresis loss reduces remarkably, which is very important for the magnetic refrigerant near room temperature.     

Investigation of the magnetic behavior and structural chemistry within the pseudobinary silicide system CeOs x Ru2−x Si2

The crystal chemistry and the magnetism in the pseudobinary system CeOs _x Ru_2–x Si₂ has been investigated in the temperature range of 1.5 K to 1,100 K and for various concentrations. From Guinier X-ray powder diffractometry all alloys were found to be isostructural and to crystallize with the ThCr₂Si₂-type of structure. No significant deviations from the ThCr₂Si₂-atomic order and symmetry were observed in the as-cast alloys with respect to those heat treated at 1,000°C and at 500°C, quenched. From magnetic susceptibilities it is shown that the 4f-electrons demagnetize at low temperatures. The data were interpreted in terms of interconfiguration fluctuations, based on a model derived by Sales and Wohlleben. A maximum valence change is observed in CeOs_1.4Ru_0.6Si₂, ranging from 3.27 at 700 K to 3.70 at 5 K.     

X-ray diffraction studies of specific features in the atomic structure of Fe-Si alloys in the α area of the phase diagram

The atomic structure of Fe-Si alloys with a silicon concentration of 5–8 at % (α-area of the phase diagram) was studied using X-ray diffraction. The effect of quenching after annealing at a disordering temperature of 850°C on the structural state of the alloys was elucidated. It is shown that the quenched samples are characterized by a short-range ordering; namely, there is a local B2-type order at a concentration of 5–6 at % Si and, in addition, DO₃-phase clusters are formed at 8 at % Si. The atomic structure of B2 clusters and their nearest surroundings is established.     

The specific heat of Y0.7Th0.3C1.58

The specific heat of the novel high temperature superconductor Y_0.7Th_0.3C_1.58 (T_c = 17.0 K) has been measured between 4 and 22 K. Unlike the other known high temperature superconductors (T_c > 16 K) which have either an A-15 or a NaCl-type structure, this material forms in the b.c.c., Pu₂C₃-type, structure. The Debye temperature, θ_D, is 346 K and the linear term coefficient, γ, of the specific heat has the value 4.66 mJ/mole-K². Thus the electronic density of states, N(0), which is proportional to γ, is quite low. The energy gap, 2Δ/kT_c, on the other hand has an anomalously high value of 5.8. Comparisons between these parameters of Y_0.7Th_0.3C_1.58 and those for some A-15 and NaCl-type superconductors are made.     

Effects of impurity on the entanglement of the three-qubit Heisenberg XXX spin chain

We investigate the entanglement of the three-qubit Heisenberg XXX chain in the presence of impurity and obtain the analytical expressions of the concurrence C. It is found that for impurity entanglement, C appears only when J ₁ > J for J > 0, and J ₁ > 0 for J < 0, and in these two regions C increases with the increase of J ₁, so is the critical temperature T _c. When J ₁ ≫ | J |, C reaches its maximum value 0.5 and T _c reaches the asymptotic value T _c = 3.41448J ₁. For entanglement between the normal lattices, C appears only when J > 0 and −2J < J ₁ < J, and initially increases with the increase of J ₁ and arrives at the maximum value C _max = (e^4J/T −3)/(e^4J/T + 3) before it decays to zero gradually, so is the critical temperature T _c with, however, the maximum value T _cmax = 4J/In3. Supported by the Natural Science Research Project of Shaanxi Province (Grant No. 2004A15)     

机械合金化Fe-Si合金的微结构与磁性

用机械合金化方法制备了不同成分的Fe-Si合金．其晶粒具有α-Fe结构，粒径为十几到几十纳米，且晶格存在严重畸变．它们的饱和磁化强度σ_s与Si含量近似成线性关系，只是稍小于相应的单晶和多晶Fe-Si合金，而其矫顽力H_c和有效各向异性常数K_eff却远大于相应的单晶和多晶Fe-Si合金．它们的磁谱除Fe₇₅Si₂₅外都是弛豫型的，其磁导率的大小与相应的铁氧体复合材料差不多．在它们的磁化过程中，畴壁位移 关键词：     

Critical behavior of electrical resistivity in amorphous Fe-Zr alloys

Electrical resistivity (ρ) of the amorphous (a-)Fe_100−c Zr _c (c=8.5, 9.5 and 10) alloys has been measured in the temperature range 77 to 300 K, which embraces the second-order magnetic phase transition at the Curie temperature point T _c. Analysis of the resistivity data particularly in the critical region reveals that these systems have a much wider range of critical region compared to other crystalline ferromagnetic materials. The value of T _c and specific heat critical exponent, α has the same values as those determined from our earlier magnetic measurements. The value of α for all the present investigated alloys are in close agreement with the values predicted for three-dimensional (3D) Heisenberg ferromagnet systems, which gives contradiction to the earlier results on similar alloys. It is observed from the analysis that the presence of quenched disorder does not have any influence on critical behavior.     

On the effective Debye temperatures of the C60 fullerite

The effective Debye temperatures Θ_eff determined for solids by different physical methods have been analyzed and compared. Attention has been focused on the original parameter of the Debye theory of heat capacity, i.e., the translational calorimetric Debye temperature Θ _c ^t (0), and the X-ray Debye temperature Θ _x in the framework of the Debye-Waller theory for the C₆₀ fullerite. It has been established that the true Debye law T ³ is satisfied for the C₆₀ fullerite over a very narrow range of temperatures: 0.4 K ≤ T ≤ 1.8 K. For this reason, the experimental Debye temperatures Θ _c ^t (0) obtained for the C₆₀ fullerite by different authors in the range T > 4.2 K are characterized by a large scatter (by a factor of ∼5). It has been revealed that the value Θ _c ^t (0) = 77.12 K calculated in this paper with the use of the six-term Betts formula from the harmonic elastic constants $ \tilde C_{ijkl} $ \tilde C_{ijkl} of the C₆₀ single crystal in the limit T = 0 K is closest to the true Debye temperature. It has been demonstrated using the method of equivalent moments that the real spectral frequency distribution of translational lattice vibrations g(ω) for the C₆₀ fullerite deviates from a parabolic distribution. The effective Debye temperatures Θ_eff involved in applied problems of thermodynamics of crystals and elastic scattering of different radiations from lattice vibrations have been determined. The quantitative measure of anharmonicity of translational and librational lattice vibrations of the C₆₀ fullerite has been determined. This has made it possible to empirically evaluate the lattice thermal conductivity κ of the C₆₀ fullerite at T ≈ 300 K: κ(300) = 0.80 W (m/K), which is in good agreement with the experimental thermal conductivity κ_exp = 0.78 W (m/K) at T ≈ 250 K.     

Crystallisation kinetics of amorphous Fe72.5−xCu1Nb4.5Si10+x+y B12-y alloy

Fe_73.5Cu₁Nb₃Si_13.5B₉ and Fe_72.5–xCu₁Nb_4.5Si_10+x+y B_12–y alloys are compared from the point of view of crystallisation behaviour and changes in the short-range order in the amorphous reminder. The increase in Nb to 4.5 at.% in the latter system slows down the formation of nanocrystals to approximately 40% even after 16 hours of anneal at 550 °C forx=0.5,y=3. Segregation-induced changes in the short-range order are manifested via hyperfine field distributions corresponding to the amorphous reminder.     

Specific features of the formation of the ferroelectric phase in polytypes of TlGaSe2 crystals

The polytypism of layered crystals of thallium gallium diselenide TlGaSe₂ has been found to substantially affect the temperature of phase transformations and the mechanism of formation of the polar state in these ferroelectrics. In particular, it is shown that the phase transition observed in the C-TlGaSe₂ polytype is an improper ferroelectric phase transition occurring at a temperature T _c ≈ 108 K, whereas the phase transition observed in the 2C-TlGaSe₂ polytype is a proper ferroelectric phase transition occurring at a higher temperature T _c ≈ 111 K. It is concluded that the elucidation of the polytype of a particular sample is a necessary stage of investigation of the TlGaSe₂ crystals.     

Linebroadening in DF-ODMR spectra of triplet excitons in the anthracene-1, 2, 4, 5-tetracyanobenzene single crystal near its structural phase transition

The temperature evolution of the DF-ODMR spectra of triplet excitons in the A-TCNB crystal has been studied in the vicinity of its order-disorder phase transition at T_c=204 K. Linewidth measurements were carried out for two selected orientations of the magnetic field in which the two crystal sites of the ordered phase appear as magnetically inequivalent and equivalent, respectively. In the former case the linebroadening observed near T_c was attributed to changes in the long-range order parameter and to the short-range clustering formation along the slacks. In the second case the sharp increase in the linewidth near T_c was interpreted and briefly discussed in terms of the critical slowing down of the fluctuations in the order parameter associated with the phase transition.