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Bismuth antimony telluride (Bi0.5Sb1.5Te3) is a ternary compound with good thermoelectric properties at near room temperature. In this research, Bi0.5Sb1.5Te3 powders were hydrothermally synthesized at different temperatures (100, 150, 190, and 230°C) for 24 h. The deposition procedure of Bi0.5Sb1.5Te3 thin films was done by using thermal evaporation. The phases and microstructures of powders and thin films were investigated by x-ray diffraction and field emission scanning electron microscopy. Moreover, the size distribution of powders was investigated using a particle size analyzer. The phase and microstructural results of the different synthesized powders confirmed that the Bi0.5Sb1.5Te3 thin film prepared by powder synthesis at 150°C for 24 h is the best choice for manufacturing with good thermoelectric properties because of its nano-sized grains and high purity. The results showed that the Bi0.5Sb1.5Te3 thin film fabricated by powders synthesized at 150°C has a single rhombohedral phase with a good semiconductor performance. The results of thermoelectric tests confirmed that the Bi0.5Sb1.5Te3 thin film fabricated using a hydrothermal method and thermal evaporation deposition approach shows a high Seebeck coefficient (183.5 μV/K) and low electronic thermal conductivity (1.32 × 10−4 W/m k−1) at 298 K. Besides, the power factor values of 0.7, 2.59 and 2.9 μW/cm K−2 were obtained at 298, 373 K and 473 K, respectively.

Cd1−xZnxTe (CZT)-based matrices have highest absorption capabilities and tunable band gap, so it can be utilized as the central most significant photon absorption layer. In this research, we have briefly investigated the effect of annealing dynamics over the phosphorus ion (P+) implanted Cd1−xZnxTe on different stoichiometric ratios. The P+ ions are introduced at 800 keV in order to tailor/tune the electro-optical characteristics of said ternary compound matrix for its utilization as an active medium in photovoltaic and related application. In this specific study, the annealing dynamics of P+ implanted Cd1−xZnxTe scheme have been studied, and three temperature ranges were chosen ~ 300, 350, and 400 °C for such purpose. The impact of annealing behavior has been envisaged by electrical and electro-optical characterization techniques, i.e., current–voltage (I–V), activation energy, charge-based deep-level transient spectroscopy (Q-DLTS) and transient of photo-voltage (TPV). From Q-DLTS study, one has obtained different defect levels that may limit the overall performance of the as-implant CZT matrix. By adopting RTA process, the damage content in form of trap levels has shifted themselves near premises to their respective band edges i.e., for as-implant cases, the trap level placed near the Fermi level and when the RTA process subjected the trap levels localized themselves to the close proximity to either of its band edge (valance/conduction level), e.g., the trap level of CdTe shift from 0.123 to 0.005 eV, i.e., near the valance band edge which may enhance the trap characteristics. Also, the activation energy and transient of photo-voltage analysis direct the physical importance of RTA process because this process may provide significant increase of carrier’s generation by reduction in activation energy and elevation of photo-voltage by utilizing the appropriate annealing sequence to subject CZT crystal. The TPV analysis of Cd0.75Zn0.25Te sample shows higher extent of physical voltages ~ 63 mV at 400 °C annealing sequences, whereas for as-implant case provides just ~ 10 mV.

The increasing demand for lithium-ion batteries has stimulated the investigation of new compounds in order to reduce the costs and the toxicity of their cathodes. Materials constituted of ternary lithiated oxide compounds are a successful alternative to cobalt-rich cathodes. The main disadvantage of ternary compound materials (TCM) is that the maximum amount of electrical charge is only achieved at high redox potentials, a limiting factor if we consider the current development in electrolyte technology. In this work, we investigated the influence of sputtering deposition parameters on the charge capacity of TCM thin films, restraining their electrochemical potential to conventional values. To do so, we analyzed the impact that small changes in crystalline and morphological structures have on the charge capacity at low cell potentials. For this, we performed the RF magnetron sputtering of TCM thin films, and carried out a factorial design of experiments to investigate their electrochemical properties, while limiting the charging potential to 4.20 V vs. Li|Li+. The films were deposited onto a rigid and conductive substrate with different parameters (power and pressure at room temperature). Electrochemical results showed that the discharge capacity is strongly influenced by the deposition parameters, reaching 250 mAh g− 1 even at 4.20 V vs. Li. This value is superior to the ones of the conventional cobalt cathode and the bulk ternary electrode. Both deposition parameters exhibited a synergic dependency, which means that they need to be simultaneously varied for a response optimization. The discharge capacity of the analyzed samples was highly affected by the surface morphology of the film and its crystallographic properties, and not by its elemental composition. High discharge capacity was obtained without additional thermal treatments, which favors the manufacture of films over polymeric substrates for future electronic applications.

The magnesium-rich intermetallic ternary compound NdNiMg15 in space group P-4/nmm (no. 26) space group in trigonal phase is studied theoretically using hybrid functional theory (HP-B3PW91) in the density functional theory (DFT) framework. The calculation results are in good agreement with experimental data. The metallic nature of the compound is estimated from the electronic properties. The magnetic as well as metallic character of the compound is due to the Nd 4f electrons. The title compound exhibits good conductivity as revealed by the thermoelectric analysis. The magnetic phase of the material indicates its stability within the G-type antiferromagnetic phase (G-AFM), governed by direct Nd–Nd exchange interactions with a magnetic moment of 3.57µB/Nd per unit cell. The AFM phase of the studied compound is also confirmed by post-DFT measurements at TN = 8.15 K as well as θ = −2.5 K. The antiferromagnetic nature of this compound could enable its use in magnetic probes to read data stored in antiferromagnetic moments while leaving them unaffected by disturbing magnetic fields.

A new ternary compound, Al2Fe3Nd, was prepared via arc melting using a non-consumable tungsten electrode under an argon atmosphere with subsequent annealing at 923 K for 30 days. Its crystal structure was determined using the Rietveld refinement of powder X-ray diffraction data. The results show that Al2Fe3Nd has a hexagonal structure in a space group of P6/mmm (No. 191). It is isostructural with the Al2.5Ni2.5Y compound. It has lattice parameters of a = 8.8625(3) Ǻ and c = 4.1475(2) Ǻ with a calculated density Dcalc = 6.460 g/cm3. The residual factors converge to Rp = 0.0946 and Rwp = 0.1214. In the temperature range of 2–500 K, magnetic susceptibility has been measured. The magnetic susceptibility of Al2Fe3Nd follows the Curie–Weiss law in the temperature range of 410–500 K. The effective magnetic moment μeff and paramagnetic Curie temperature θP were estimated to be 8.59 μB and 399.8 K, respectively. The saturation magnetic moment and magnetic hysteresis loop for the compound were measured under room- and low-temperature conditions. The measurements indicate that the saturation magnetization moment declines with increasing temperature, and the compound is ferrimagnetic in the analytical temperature range of 2–300 K.

An ultra-high temperature composite with superior mechanical characteristics was developed using zirconium diboride (ZrB2, 60% by volume), silicon carbide (SiC, 30% by volume), and tantalum carbide (TaC, 10% by volume), and its microstructure characteristics and mechanical properties were obtained experimentally by nanoindentation testing, X-ray diffraction, field emission scanning electron microscopy, X-ray fluorescence analysis, and X-ray photoelectron spectroscopy. Oxide contamination was eliminated, and the ceramic was densified to achieve a fully-dense ternary compound. To assess its performance in a typical real-world application, a finite element analysis was performed using the commercially available ABAQUS package for a one-bay one-story steel frame in which the prepared ceramic was used for the beam–column joint reinforcement end-plates; a good agreement was found with the results reported in the literature for comparable structures. The performance of a steel frame with a plate prepared from functionally graded materials located at the beam–column joint was then modeled in ABAQUS and subjected to the conditions recorded during a 1940 earthquake with a magnitude of 7.7. The results show that the utilized ceramic significantly enhanced the structural behavior of the reinforced concrete frame, confirming its potential utility in a wide range of industrial, structural, and medical applications.

Zinc tin phosphide (ZTP) has attracted recent research interest as a low-cost light sensing material, alternative to III–V and II–III-based compounds, for photo-detector and solar cell applications. In this study, a versatile chemical route for the synthesis of ZTP nanoparticles starting from commercially available alkyl-zinc and tin, alkyl-phosphoramides and trioctylphosphine at a relatively low temperature of 160 °C is reported, which can straightforwardly be extended to other analogous II–IV-P2 group ternary compounds. The particles displayed high stability and can be deposited as layers with few monolayers of thickness. The structural and chemical analysis revealed that the particles are of sub-10 nm size with chalcopyrite structure and ZnSn-phosphide composition. The particles exhibited optical band-gap in the range of 1.65–1.75 eV and a broadband photo-response in the visible wavelengths (400–700 nm) with excellent response to red light.

Research on photovoltaic solar cells has always been exciting due to its clean and green nature. However, the quest for alternative approaches to the design of highly efficient solar cells with optimal cost-efficiency ratios has also been progressing. CuSbS2-based ternary compound semiconductor is a promising candidate for the ultrathin film photovoltaic cell due to the high absorption coefficient, low cost, and earth abundant which makes it suitable to use as a thin-film absorber layer. The impact of various parameters such as thickness, bandgap, band alignment, temperature, carrier concentration, and bandgap grading has been studied to optimize the overall performance of the solar device. In present work, we have adopted the Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D) simulation approach to the design of CuSbS2 absorber-based solar heterostructure cells to boost the electrical properties of the solar cell.

Dark current is the main factor that influences photodiode performance. It should be minimal to reduce noise and ensure a high level of photoelectric parameters. In order to identify the predominant causes of generation–recombination in photodiodes based on a mercury–cadmium–tellurium (MCT) ternary compound in the given voltage range, a calculation model is proposed for dark currents caused by fundamental and other current mechanisms. The components of dark current in photodiodes based on MCT heterostructures grown by molecular beam epitaxy (MBE) and liquid-phase epitaxy (LPE) methods are determined in the reverse bias voltages range from 0 to 40 mV. In the range from 0 to 20 mV, these characteristics are reduced to the diffusion component. When the reverse bias voltage exceeds 30 mV, an increase in the Shockley–Read–Hall (SRH) generation–recombination current and tunneling current through trap levels in the band gap is observed.

A ternary compound of Li6NiNb2O9 with a rock-salt structure was prepared by the conventional mixed oxide route, and after the ceramic preparation processes, its microwave dielectric properties were investigated. Ceramics with a single phase and a rock-salt crystal structure can be obtained under our optimized sintering conditions, and a disordered rock-salt structure for Li6NiNb2O9 compound can be confirmed by the Rietveld method. Relatively dense microstructures can be obtained under the sintering conditions of 1080°C/2.0 h, with microwave dielectric properties of e = 13.5, Q × f = 20,600 GHz (9.4 GHz) and τf = −33.9 ppm/°C. Although decomposition of such phase occurred when high sintering temperature was applied (> 1100°C), the density and microwave dielectric properties of the ceramics showed anomalous increases.

Obtaining a stable Cr3+ phase at higher temperatures in the presence of hydraulic calcium aluminates (the phases found in calcium aluminate cement, CAC) in the Al2O3–CaO–Cr2O3 system remains a significant challenge in many application areas, as the formation of toxic, carcinogenic, and water-soluble Cr6+ compounds often occur. To address the issue, recently, we synthesized a high-temperature stable Cr3+ ternary compound (CaAl2Cr2O7) with space group P3 (143). In the present work, we investigated the formation-stability of CaAl2Cr2O7 with in-situ calcium aluminate phases at 1500 °C under the CO2 atmosphere in the Al2O3–CaO–Cr2O3 system through solid-oxide reactions route varying Cr2O3 content (at constant Al2O3:CaO ratio). It co-existed with hydraulic calcium aluminates and other phases over the full investigated composition range of 2.76–68.3 mol% Cr2O3 (5–80 wt%). Apart from CAC phases (CaAl2O4, CaAl4O7), major Cr3+-phases are CaAl2Cr2O7 and (Al,Cr)2O3 while (α,β)-CaCr2O4 and Ca(Al,Cr)12O19 formed as minor phases. At a constant Al2O3:CaO ratio of 5.6:4.4 mol% (7:3 wt%), the formation of the CaAl2Cr2O7 phase increases with Cr2O3 content (up to the investigated composition of 26.43 mol%) and then decreases gradually. The solid solubility of Al and Cr in the CaAl2Cr2O7 phase limited over a narrow range, and presumably dependent more on heat treatment condition rather than composition as reflected from the lattice parameter calculations. Though XRD revealed the presence of only Cr3+-phases in the partial CO2 atmosphere, however, traces of Cr6+ could be detected using XPS and leaching tests. However, leachable Cr6+ content (0.095–1.252 mg/L) were much below the United States Environmental Protection Agency (US-EPA) permissible limit of 5 mg/L. The formation mechanism of the CaAl2Cr2O7 and other phases with plausible reactions were also discussed.

Cathodic electrodeposition technique has been successfully used to achieve the growth of polycrystalline CdMnTe ternary compound thin films at different cathodic potentials. The choice of various cathodic potentials used in this work was made from the cyclic voltammogram results. The CdMnTe thin films were electroplated from electrolytes containing CdSO4, TeO2 and MnSO4·H2O in an acidic aqueous medium. The electrodeposition was carried out on glass/fluorine-doped tin oxide {FTO} substrates. The structural, optical, morphological and electrical properties of the CdMnTe thin films were studied using X-ray diffraction (XRD), UV–Vis spectroscopy, scanning electron microscopy (SEM), current–voltage (I–V) characteristics and photo-electro-chemical (PEC) cell measurements respectively. The materials investigated in this work were explored under three different conditions namely: as-deposited (AD), heat-treated ordinarily in air (HT) and heat-treated in air in the presence of CdCl2 surface treatment (CC). Results from the XRD showed that the electrodeposited films are polycrystalline with the presence of CdTexOy and CdMnTe peaks. The electroplated films have cubic crystal structures and the preferred orientation was found to be along the (111) plane. The optical energy bandgaps of the thin films were found to be deposition potential dependent. Electrical conductivity types namely p- and n-type conductivity were also obtained at different cathodic potentials using photo-electro-chemical cell measurement technique for as-deposited and heat-treated materials.

The Pb-Se-Sn ternary system is of interest to thermoelectric applications. Nevertheless, no phase diagram exists for the entire compositional regime at any temperature. Ternary Pb-Se-Sn alloys are equilibrated at 350°C and 500°C, and their equilibrium phases are determined. The isothermal sections of the equilibrium Pb-Se-Sn phase diagram at 350°C and 500°C are proposed based on the phase diagrams of the three constituent binary systems and ternary phase equilibria results in the literature and those determined in this study. No ternary compound is found. The phase relationships are similar at 350°C and 500°C. At both temperatures, binary compounds, α-PbSe and γ-SeSn, have very significant ternary solubility, but the ternary solubility of Pb in the Se2Sn phase is negligible. There are still unresolved questions about the type and shape of the liquid phase at the Se corner.

Calcium zirconium aluminate, Ca7ZrAl6O18, is only the ternary compound of CaO, Al2O3 and ZrO2 with hydration reactivity. Calcium zirconium aluminate is conventionally synthesized by a solid-state reaction processing using CaCO3, Al2O3 and ZrO2, as starting materials at temperatures exceeding 1400 °C. In the present study, Ca7ZrAl6O18 along with some admixture phases was prepared by modifying co-precipitation method using ammonia solution, NH3(aq) or saturated oxalate ammonium solution in concentrated ammonia solution, (NH4)2C2O4–NH3(aq) as a precipitation agent. Crystalline Ca7ZrAl6O18 phase was detected at relatively low temperature (~900 °C) together with other intermediate crystalline products. Formation of the final product of Ca7ZrAl6O18 powders, with CaZrO3 and Ca12Al14O33 as accessory phases, requires heat treatment at 1200 °C for 5 h. Two novel approaches for the synthesis of Ca7ZrAl6O18 affect its further hydration behaviour. Ca3 [Al(OH)6]2 or C3AH6 with a hitherto unknown rounded crystal habit was formed within the cement pastes made of Ca7ZrAl6O18, which was synthesized by the modifying co-precipitation method using (NH4)2C2O4–NH3(aq) as a precipitation agent.

CuSbSe2 is emerging as an alternative absorber for thin-film photovoltaics owing to its intrinsic p-type conductivity, proper band gap (~ 1.1 eV), high-absorption coefficient (> 104 cm−1) and low cost. Moreover, it is nontoxic and its compositional elements (Cu, Se and Sb) are abundant in the crust of earth. In the present work, Sb2Se3/Cu multilayers were deposited by pulsed laser deposition (PLD) followed by magnetron sputtering (MS). After that, the as-prepared multilayers were annealed in-suit in the MS chamber at different temperatures and times to obtain high-quality CuSbSe2 ternary compound. Five intermetallic compounds were generated in this process, including CuSbSe2, Sb2Se3, CuSe2, Cu2Se and Cu3SbSe3. Besides, it was found out that most CuSbSe2 ternary compound was generated when the as-prepared multilayers were annealed at 420 °C for 10 min. The crystallite size of CuSbSe2 phase increased with elevating annealing temperature, while more holes and gaps occurred when the annealing temperature exceeded 420 °C. The results of energy-dispersive spectrometer indicated the film was highly developed with nearly stoichiometric atomic ratio of 27.91:22.72:49.37 (Cu:Sb:Se). The electrical measurement results revealed the semiconducting nature of the film and gave the conductivity activation energy of 0.26 eV, 0.08 eV and 0.13 eV, respectively. The direct band gap of the annealed film was revealed as 1.13 eV, which fulfilled the Shockley–Queisser requirements for the efficient harvesting of the solar spectrum.

The Al–Cr–Dy system has been investigated over the whole composition by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), scanning electron microscope and energy dispersion spectroscopy (SEM-EDS). The existence of known compounds Al8Cr4Dy and Al43Cr4Dy6 has been confirmed at 773 K. Binary compounds Al11Cr2 and Al17Dy2 do not exist in this isothermal section. The structure of the CeCr2Al20-type ternary compound Al20Cr2Dy has been determined with Rietveld refinement. This compound belongs to space group Fd 3 ¯ m and lattice parameter a = 1.44524 nm. The results shows that there are 16 single-phase regions, 31 two-phase regions and 16 three-phase regions in the studied isothermal section. The maximum solubility of Cr in AlDy2 and Al2Dy are confirmed to be 1.8 and 2.1 at. %, respectively. No significant solid solubility can be found in the other binary compounds of the Al–Cr–Dy ternary system at 773 K.

The γ/γ′ two-phase Co–Al–V-base superalloys are investigated in detail, including their phase equilibria, alloying effects, and alloy design. The experimental proof of the existence of a ternary compound with an L12-ordered γ′-Co3(Al, V) phase is provided in this study, and the γ/γ′ two-phase Co–5Al–14V (at.%) alloy is designed. The γ′-Co3(Al,V) phase is proved to be thermodynamically stable at 900 °C, and a wide γ/γ′ two-phase composition region in the Co–Al–V ternary phase diagram at 900 °C is identified. The performed investigation of Co–5Al–14V-2X (X: Ti, Cr, Nb, Mo, Ta, and W) and Co-xNi-8Al–12V (x = 10, 20, and 30) quaternary alloys revealed that Ti, Nb, Mo, Ta, W, and Ni tend to concentrate in the γ′ phase, whereas Cr tends to partition to the γ matrix. Besides, the γ/γ′ two-phase Co–30Ni–10Al–5V–4Ta–2Ti (30Ni4Ta2Ti) alloy is designed. The 30Ni4Ta2Ti alloy exhibits a very high γ′ solvus temperature (namely, 1242 ± 3 °C) combined with a low density (8.46 ± 0.08 g cm−3), which characteristics are comparable with those of the Mar-M-247 Ni-base superalloy. Moreover, the nominal and the specific yield strength values of the obtained 30Ni4Ta2Ti alloy within the temperature range from 600 to 900 °C are also close to those of the Mar-M-247 superalloy.

In this paper, the TeMo5O16 ternary and MoO3-TeO2 binary compounds were prepared by using the solid-state reaction method and with MoO3-TeO2 oxide precursor solutions. The effect of pH and annealing temperature on the structure especially formation of TeMo5O16 ternary phase and optical properties of nanoparticles have been investigated. Ammonia (NH3) and nitric acid were used to adjust low and high pH, respectively. Synthesis and the formation of TeMo5O16 ternary compound were carried out at two processes: (A) chemical reduction with NaBH4 under nitrogen atmosphere and (B) annealing at temperatures T = 350 °C and 400 °C in air. These two temperatures were chosen because of the proximity to Te’s melting point. The results of X-ray diffraction showed that with increasing the annealing temperature, the MoO3-TeO2 binary composition is increased and an additional Te2O5 phase is observed. Also, with decreasing pH, the TeMo5O16 ternary phase is increased. The field emission scanning electron microscope (FE-SEM) images showed that the morphology of the nanoparticles is sphere-like, polyhedral forms, which indicates the presence of particles in different phases. The UV–Vis spectroscopy results showed that the energy gap of nanoparticles is varied in the range of 2.83–2.94 eV. The bonding structure of nano-particle was also studied by FT-IR spectroscopy.

In this paper, we report results on the processing of cadmium zinc sulfide (CdxZn1-xS) ternary compound starting from the deposition of cadmium sulfide (CdS)/zinc sulfide (ZnS) bi-layers buffer configuration and a subsequent thermal annealing for its application to thin film solar cells. The impact of different CdS/ZnS bi-layers buffer configurations as effective alternative to the single CdS buffer layer, as well as the physical and chemical properties of the equivalent CdxZn1-xS ternary compound are presented and discussed. Results on physical properties optimization of CdxZn1-xS ternary compound for future applications to thin film solar cells are presented.

Cesium lead iodide (CsPbI3) has been prepared by a new experimental hazard free precipitation technique. X-ray diffraction spectra have been interpreted with Rietveld refinement which assures the orthorhombic phase of CsPbI3. Energy dispersive X-ray fluorescence spectra confirms the formation of ternary compound. Orthorhombic to cubic phase transition has been studied by observing hysteresis loop in R(T)-T plot for forward-reverse temperature scan. The intra-grain and inter-grain contribution of CsPbI3 to dielectric relaxation has been accounted by fitting the complex impedance plot (Cole-Cole plot). The value of FWHM in Z″(ω)-lnf or M″(ω)-lnf plot is greater than 1.141 decades which reveals the non-Debye type relaxation within material. The broad relaxation peak signifies that there is a distribution of relaxation time over a mean value. Moreover, Z″ & M″ have been plotted in scaled coordinate to check whether the distribution of relaxation time is temperature dependent or not. The frequency dependent relative permittivity represents the decreases of polarizations with frequency which have been successfully analyzed by Koop's theory. Here, activation energies are equal for different formalism, suggests that the same type charge carriers involved in conduction as well as relaxation process. Ac conductivity has been interpreted by using Jonncher's power law and frequency exponent (n) increases with temperature which suggests the presence small polaron hopping mechanism.

Copper indium diselenide (CuInSe2) is a prototype ternary compound and group I–III–VI semiconductor with useful optoelectronic properties. CuInSe2 nanocrystals have been of significant interest because of their size-tunable optical properties and lack of toxic heavy metals. Because of the particular vacancy and antisite substitutional point defects in CuInSe2, large stoichiometric deviations can be tolerated, sometimes leading to the so-called ordered vacancy compounds (OVCs). Here, we use Raman spectroscopy of oleylamine-capped CuInSe2 nanocrystals and ab initio lattice dynamics modeling to study the concentration and arrangements of (2vCu– + InCu2+) defect pairs in the nanocrystals. The nanocrystals have randomly distributed defect pairs that become mobile under light excitation and accumulate, as in OVCs, along the [100] direction. Because the high concentration of vacancies in CuInSe2 nanocrystals is compensated by InCu2+ antisite defects, these nanocrystals do not exhibit an optical plasmon resonance...

Under the first-principles framework, this paper used the CASTEP program to theoretically calculate TiN, TiC, and its intermediate compounds and therefore obtain a theoretical basis for their application. In this paper, the N atoms in the NaCl-type unit cell of TiN were replaced, and the atoms of TiN1-xCx (x = 0.25, 0.5, and 0.75) were constructed by replacing N with C atoms. The unit cell structure of the ternary compound TiN1-xCx (x = 0.25, 0.5, and 0.75) was constructed by replacing N with C atoms. In a subsequent step, these compounds were geometrically optimized and their properties were calculated. These compounds were subsequently subjected to geometric optimization to calculate their properties. By analyzing the electronic structure of the materials, it was found that TiN1-xCx exhibited metallic properties. In addition, this paper focused on the optical properties of TiN1-xCx ternary compounds under different compositions including absorption, reflectivity, refractive index, and photoconductivity. The accuracy and reliability of the theoretical results presented herein were confirmed by comparing current theoretical results with existing experimental or theoretical results.

Ternary compound Cu2SnS3 (CTS) was fabricated by simple, low cost and high efficient spray pyrolysis and rapid thermal annealing route. The influences of annealing temperature and annealing duration on the properties of the prepared CTS thin film were investigated in detail. X-ray diffraction spectrometer, Scanning Electron Microscope, UV–Vis–IR spectrophotometer and I–V test system were employed for the analysis of the structural, morphological, optical and photoelectric properties of the prepared CTS thin film, respectively. The characterization results show that the CTS thin film prepared under the optimal annealing condition of 500 °C and 15 min presents as tetragonal structure with preferential (1,1,2), bandgap value of 1.44 eV, crystal grain size of around 80 nm and photoelectric conversion efficiency as high as 1.24%.

Following the recent determination of the Al3AuIr structure, a new ternary phase has been identified in the Al–Au–Ir phase diagram. It has a chemical composition Al9(Au;Ir)4 with an apparently low gold content. Its crystal structure has been determined with single-crystal X-ray diffraction. The new compound crystallizes in the tetragonal crystal system and has been successfully solved in space group I41/acd (Pearson symbol tI104) with lattice parameters a = 8.6339 (2) and c = 21.8874 (7) Å. Atomic environments are described as well as similarities with the BGa8Ir4 compound.

Ternary compound semiconductor CdSexS1-x (x = 1, 0.8, 0.6, 0.4, 0.2 and 0) thin films were prepared on glass substrates by using simple solution processed spin coating technique. Cadmium acetate, sodium selenosulfate and thiourea were used as source materials for Cd2+, Se2− and S2− ions, while triethanolamine was used as a capping agent. The 25% concentred NH4OH solution was used as a complex reagent and also used to adjust the pH of the final solution ~ 11. The deposition conditions (rotation speed 2000 rpm for 30 s and substrate dried in the air at 120 °C for 2 min) were remain same for all the samples. The as-deposited thin films on glass substrate were annealed at 350 °C for 30 min. The X-ray diffraction pattern shows that all the samples were polycrystalline in the nature with hexagonal structure. The most of prepared thin films were highly textured along (002) plane and peak position for plane (002) is shifted with change in composition ‘x’. The average crystallite size in CdSexS1-x thin films were found between 62.6 nm to 93.4 nm. Scanning electron microscopy images showed uniform deposition morphology with spherical shaped grains distributed over entire glass substrate. Samples CdSe0.8S0.2 and CdSe0.6S0.4 thin films indicated interesting morphological features with the combination of spherical shaped nanoparticles and interconnected nanofibers which form hierarchical flowerlike microstructure. Energy dispersive X-Ray studies confirmed that thin films were having approximately same stoichiometry of atomic ratio of elements Cd, Se and S as present in volumetric ratio of the reactants in chemical solution. Fourier transform infrared studies confirmed the formation of the Cd(Se,S) bonding in materials. The optical band gap of CdSexS1-x thin films were found as direct band gap in the range of 1.82 eV to 2.32 eV. As the incorporation of sulphur element increases, the band gap of CdSexS1-x thin film also increases. The CdSexS1-x thin films can be used as absorption layer in solar photovoltaic cell which is due to wide and fine tenability of the energy band gap.

Dissimilar lap joining of magnesium alloy to titanium alloy was performed using Ni coating by laser welding-brazing process. The influence of different Ni-coating thicknesses on microstructure and mechanical properties were investigated. In laser irradiation region, Ti3Al phase formed at fusion zone/Ti interface. In middle region, Ti3Al phase still existed at fusion zone/Ti interface, while Mg-Al-Ni ternary IMC generated at fusion zone. In weld toe region, Ti-Ni binary IMC were observed at the interface of fusion zone/Ti. The particles of Mg-Al-Ni ternary compound grew bigger and thickness of Ti-Ni compound layer increased with the increase of Ni-coating thickness. TiNi IMC transformed into (TiNi + Ti2Ni) mixtures when the Ni-coating thickness exceeded 5.8 μm. Interfacial microstructure evolution was clarified according to thermodynamic calculation results of formation enthalpy and chemical potential. The fracture load first increased and then decreased slightly with increasing coating thickness, the maximum fracture load (2430 N/cm) represented 90% joint efficiency in relation to the Mg base metal. The fracture mode changed from interfacial failure into fusion zone fracture when the Ni-coating thickness was greater than 4.0 μm. The interfacial bonding were relatively low, while the performance of fusion zone fracture was relatively high. Further increase of coating thickness has little effect on the performance deterioration. The bonding mechanism of Mg to Ni-coated Ti were illuminated.

The microstructure of the Er-Fe-V ternary system at 773 K was investigated by means of x-ray diffraction analysis and scanning electron microscopy. The isothermal section at 773 K was obtained, consisting of 9 single-phase regions, 15 two-phase regions, and 8 three-phase regions. The homogeneity range of the ternary compound ErFe12−xVx was determined to be x = 1.1 to 2.6. The maximum solid solubility of V in Fe, ErFe2, and Er2Fe17 was found to be about 13.0 at.%, 5.3 at.%, and 2.5 at.%, respectively. The maximum solid solubility of Fe in V was found to be about 25 at.%. Regarding the microwave absorbing properties of V-doped Er2Fe17 alloy, the absorption peak of the Er2Fe17−xVx alloys moved toward the low frequency region while the minimal reflection loss decreased upon V addition, with absorption frequency bandwidth (R

Phosphate compound with mixed cations, NaBaPO4 can be a new candidate of microwave dielectric ceramics with the basis of the systematically investigations of the ternary compound series of AMPO4 (A = Li, Na, K; M = Ca, Sr, Ba). Ceramics with single phase of NaBaPO4 can be obtained under our optimized experimental sintering conditions for this compounds above, whereas its microstructures and microwave dielectric properties are strongly influenced by the sintering temperatures and holding times. Relatively dense microstructures can be obtained under the sintering conditions of 910 °C/0.5 h, with unique combination of microwave dielectric properties as e = 8.279, Q × f = 10237 GHz (11.4 GHz) and τf = + 19.07 ppm/°C, and fast sintering characteristics (0.25 – 0.5 h) are the inherent properties of such phosphate compound.

So far, the relevant phase equilibrium relations and the type of equilibrium phase fields in the CaO-SiO 2 -La 2 O 3 basic slag system phase diagram are still unknown, which restricts the smelting process and application in materials of rare earth elements. In the current work, phase equilibrium relations within specific region of CaO-SiO 2 -La 2 O 3 system at 1673–1473 K were studied experimentally by using the thermodynamic equilibrium experiment followed by X-ray diffraction (XRD), scanning electron microscope (SEM), and energy dispersive spectrometer (EDS). According to the experimental results, the existence of ternary compound CaO·3SiO 2 ·2La 2 O 3 was determined, it is confirmed to be a solution solid phase. The sub-solidus phase relations between different solid phases were also determined. Finally, the isothermal sections of CaO-SiO 2 -La 2 O 3 system within specific region at 1673 K, 1573 K and 1473 K were obtained, respectively. The experimental results can not only enrich the phase diagram information of silicate system, but also have practical significance for the application of rare earth in materials.

Corundum abrasives with plate-like grains were fabricated by a two-step sintering technique using the solution-based process with the addition of the ternary compound additive Na 3 AlF 6 -CaO-SiO 2 . The two-step sintering method showed obvious advantages over conventional sintering methods in promoting sample densification, suppressing grain growth, and homogenizing the microstructure of the corundum abrasives. The sample doped with 2.5 wt% Na 3 AlF 6 and 4 wt% CaO + SiO 2 in the molar ratio of 1:1 possessed a relative density of 99.3%, average grain size of 0.54 µm, and single-particle compressive strength of 49 N. The introduction of seeds reduced the temperature of θ- to α-Al 2 O 3 phase transformation. The relationship between the microstructure and the mechanical properties of the abrasives was also discussed.

The results concerning the formation of nano-scale patterns on the surface of a ternary compound are presented. The evolution of surface morphology of (111) Hg1−xCdxTe (MCT) (х ~ 0.223) epilayers due to ion irradiation in the energy range of 100–140 keV was studied. Modification of the surface was performed using the method of normal (θ = 0°) and oblique—incidence (θ = 45°) bombardment by Ag+ ions. Surface characteristics were investigated using atomic force microscopy and X-ray photoelectron spectroscopy techniques. Low-temperature photoluminescence and Raman spectroscopy were used for the investigation of the recombination and vibrational properties as well as the defect-impurity states of as-grown and implanted Hg0.777Cd0.223Te epilayers. It was found that ion beam structured regions of MCT surface demonstrate photoluminescence emission in the range of 500–850 nm, with intense peaks at around 733 nm (1.69 eV) and 570 nm (2.16 eV) with a long-wavelength shoulder at 620 nm (2 eV). The observed emission lines are suggested to be mainly related to the presence of various point defects in oxide phases (CdO and Ag2O) induced by ion bombarding in the base material (HgCdTe).

We have studied the magnetic and electrical properties of new ternary europium magnesium silicide Eu2Mg4Si3. The single crystalline Eu2Mg4Si3 has been prepared by the Mg self-flux method. The compound crystalizes in the hexagonal Hf2Co4P3-type structure with space group P 6 ¯ 2 m with unit cell parameters a = 14.78 ( 3 ) A and c = 4.434 ( 6 ) A . Magnetic, electrical, and thermal properties indicate that the system undergoes two successive phase transitions, occurring at T N 1 = 9.6 K and T N 2 = 8.4 K . The estimated effective magnetic moment is close to the moment of free Eu 2 + ion. The electrical resistivity data ρ ( T ) for Eu2Mg4Si3 show a metallic-like behavior from room temperature down to about 100 K. However, the ρ ( T ) data exhibit a notable upturn below 80 K and a maximum around T N 1 and then suddenly decrease with decreasing temperature. These features are strongly suppressed by applying magnetic fields and a metallic temperature dependence eventually exhibits over the whole temperature range in a magnetic field of 30 kOe. Such behavior is observed in some magnetoresistive compounds.

A combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr–Pt–Bi system. Because Pt–Bi is considered as a new critical charge-transfer pair for superconductivity, it inspired us to investigate the Sr–Pt–Bi system. With a thorough calculation of all the known stable/metastable compounds in the Sr–Pt–Bi system and crystal structure predictions, the thermodynamic stability of hypothetical stoichiometry, SrPtBi2, is determined. Following the high-temperature synthesis and crystallographic analysis, the first ternary bismuthide in Sr–Pt–Bi, SrPtBi2 was prepared, and the stoichiometry was confirmed experimentally. SrPtBi2 crystallizes in the space group Pnma (S.G. 62, Pearson Symbol oP48), which matches well with theoretical prediction using an adaptive genetic algorithm. Using first-principles calculations, we demonstrate that the orthorhombic structure has lower formation energies than other 112 structure types, such as tetragonal BaMn...

NaCeF4(s) is the single ternary compound in NaF-CeF3 system and it was prepared in solid state route. The characterization of NaCeF4(s) has been checked with X-ray diffraction technique and the purity has been checked with Rietveld analysis. The micro homogeneity and surface morphology of the prepared compound has been tested with EDS and SEM technique, respectively. The heat capacity, C0p[NaCeF4(s)] has been measured experimentally with DSC and the Gibbs energy of formation, ΔfG0m of NaCeF4(s) has been determined using Solid Electrolyte Galvanic Cell with CaF2(s) as solid electrolyte. The binary phase diagram of NaF(s)-CeF3(s) system has been calculated based on experimental thermodynamic data,. To study the stability domain and coexisting phases of NaCeF4(s) in reactor operating condition, the chemical potential diagram of Na-Ce-F-O system and ternary phase diagram of Na-Ce-F2 system has been calculated.

CoNi2S4 ternary sulfide thin films are deposited on glass substrates by spray pyrolysis at 250 °C using an aqueous solution of chloride hexahydrate (NiCl2,6H2O),tin chloride hexahydrate (CoCl2, 6H2O) and thiourea (SC(NH2)2) (ACROS pure more than 99.0%). Structural study using X-ray diffraction are allowed; lattice parameters and structural defects where studied. Morphological properties are carried out by using both AFM and SEM observations. Optical properties are performed by means of transmittance and reflection measurements as well as photoluminescence measurements. On the other hand, electrical properties are investigated in terms of electrical conductivity, free carrier and relaxation time at different temperatures through Hall effect and four probes measurements. This investigation shows a metallic behavior of this current II-IV2VI4 ternary compound. Finally, the advances in the actively studied electrode that are emerging as effective alternate for CoNi2S4based cyclic voltammetry are also discussed.

A common method of realizing a magnetostructural coupling for MnNiSi is chemically alloying it with a ternary compound possessing a stable Ni 2 In-type structure. In this way, the substituting elements and levels are determined by the stoichiometry of counterpart compounds. In this work, chemical co-substitutions of Fe and Ga at three different atomic sites of MnNiSi were performed. The selections of substitution elements and levels were based on the site occupation rule and an analysis of the site-dependent substitutional effects on structural stability, Curie temperatures, and magnetic moment of MnNiSi. A broad Curie temperatures window of 285 K spanning room temperature was established in Mn 1− x Ni 1− x Fe 2 x Si 1− x Ga x . Strong magnetostructural transformations with large magnetization difference were realized in this window. A relatively large magnetic entropy change of −38.1 J/kg K was observed for a field change of 5 T near room temperature in the alloy with x = 0.15.

Using a high-temperature ampoule technique, a series of mixed nickel-iron-gallium metal-rich tellurides with layered structures, Ni3-xFexGaTe2, were prepared and characterized based on X-ray powder diffraction, energy-dispersive spectroscopy, and 57Fe Mossbauer spectroscopy data. These compounds may be regarded as a result of partial substitution of nickel by iron in the recently reported ternary Ni3-xGaTe2 series, which are based on NiAs/Ni2In type of structure. The compositional boundary for the substitution was found to be at x~1. According to the Mossbauer spectroscopy data, the substitution is not statistical, and iron atoms with the increase in x tend to preferentially occupy those nickel positions that are partially vacant in the initial ternary compound. Magnetic measurements data for the Ni3-xFexGaTe2 series show dramatic change in behavior from temperature-independent paramagnetic properties of the initial matrix to a low-temperature (~75 K) ferromagnetic ordering in the Ni2FeGaTe2.

The ternary compound, CuBi2O4, a 1:1 stoichiometric derivative of the two component oxides CuO and Bi2O3, has attracted attention from the solar water splitting and photocatalysis communities as a p-type semiconductor responsive to visible light. This study demonstrates that solution combustion synthesis (SCS) can be used to prepare powders not only of this compound but also nanocomposites with either CuO or Bi2O3 in excess. This was simply done by tuning the SCS precursor mixture composition. The synthesized crystalline samples were characterized by powder X-ray diffraction (with Rietveld refinement for phase purity), diffuse reflectance UV–visible spectroscopy, electron microscopy, and photoelectrochemical (PEC) techniques. The band structure and photoactivity of these oxides were probed by linear sweep voltammetry and by measuring their photoaction spectra (internal photon-to-electron conversion efficiency vs wavelength). The photoactivity (attributed to hydrogen evolution and CO2 photoreduction) was c...

This work takes place in the context of the development of a transport phenomena simulation based on group III nitrides. Gallium and boron nitrides (GaN and BN) are both materials with interesting physical properties; they have a direct band gap and are relatively large compared to other semiconductors. The main objective of this paper is to study the effect of boron content on the electron transport of the ternary compound BxGa(1-x)N and the effect of the temperature of this alloy at x=50% boron percentage, specifically the piezoelectric, acoustic, and polar optical scatterings as a function of the energy, and the electron energy and drift velocity versus the applied electric field for different boron compositions (BxGa(1-x)N), at various temperatures for B0.5Ga0.5N. Monte carlo simulation, was employed and the three valleys of the conduction band (Γ, L, X) were considered to be non-parabolic. We focus on the interactions that do not significantly affect the behavior of the electron. Nevertheless, they are introduced to obtain a quantitative description of the electronic dynamics. We find that the form of the velocity-field characteristic changes substantially when the temperature is increased, and a remarkable effect is observed from the boron content in BxGa(1-x)N alloy and the applied field on the dynamics of holders within the lattice as a result of interaction mechanisms.

Ternary chalcogenide semiconductor copper germanium sulfide (Cu 2 GeS 3 ) composed of earth-abundant and non-toxic elements is considered to be a suitable light harvesting material for photovoltaics. In this study, Cu 2 GeS 3 thin film solar cells are creatively fabricated based on combustion method. XRD and Raman analyses reveal that the combustion synthesized product is composed of Cu-Ge alloy rather than metal oxides. The structural, morphological, optical and electrical properties of CGS films are analyzed in detail. The best power conversion efficiency of Cu 2 GeS 3 thin film solar cell achieve 2.67% with a high open-circuit voltage of 592 mV. The experiment results reveal that the p-type semiconductor Cu 2 GeS 3 is an extremely promising light harvesting material for photovoltaics due to its suitable band gap and carrier concentration.

A ternary compound semiconductor ZnSnP2 has the order–disorder transition, where the ordered and disordered phases are chalcopyrite (I42d, a = 5.651 A, c = 2a) and sphalerite (F43m, a = 5.651 A), respectively. In this study, the quantitative relationship between bandgap and long-range order parameter η was investigated by analyzing ZnSnP2 bulk crystals obtained by various cooling rates in crystal growth. The Chipman and Warren method was used to evaluate the long-range order parameters from X-ray difffaction profiles. The results showed that the long-range order parameter η decreases from 0.94 to 0.54 with the increase in cooling rates, and the bandgap gradually reduced from 1.60 to 1.37 eV, corresponding to the η value. It was also demonstrated that bandgap tuning of ZnSnP2 was possible by controlling the long-range order parameter through annealing process. This study clarified the effects of the order–disorder phenomena on bandgap in a model material, ZnSnP2, based on the evaluation of long-range ord...

We have discovered a new orthorhombic ternary compound SmPtSi2. We succeeded in growing a single crystal of SmPtSi2; prepared a polycrystalline sample of this compound, and measured their susceptibility, specific heat, and resistivity. The temperature dependence of susceptibility of the polycrystalline sample is close to that of Sm3+ at high temperatures, and its specific heat shows anomalies at TH = 8.6 K and TL = 5.6 K. The resistivity of a single crystal of SmPtSi2 shows a hump-type anomaly just below TH and a sudden decrease at TL, indicating that these anomalies are intrinsic and that SmPtSi2 exhibits a two-step transition.

The Zr–Cr–Si ternary system has been investigated over the whole composition by powder X-ray diffraction (PXRD) and scanning electron microscope equipped with energy dispersion spectroscopy (SEM-EDS). The ternary compound Zr4Cr4Si7 has been confirmed to exist in this system and its crystal structure data was acquired by Rietveld method. Rietveld refinement confirms that this ternary phase belongs to the Zr4Fe4Si7-type structure with space group I4/mmm (no.139) and lattice parameter a ​= ​1.3199(6) nm and c ​= ​0.5182(5) nm. The existence of ternary compounds i.e. ZrCrSi2, Zr2Cr4Si5, ZrCrSi and Zr2Cr3Si has also been confirmed at 973 ​K. The solid solubility of Cr in Zr–Si binary compounds and that of Si in α-ZrCr2 and Cr are determined to be between 1.5 ​at. % and 6.8 ​at. %. No remarkable solubility is determined in the other compounds. The results show that there are 19 single-phase regions, 40 two-phase regions and 22 three-phase regions in the studied isothermal section.

Thermochromic VO2 thin films are fabricated by atomic layer deposition with vanadyl acetylacetonate as the precursor. The crystallization process has been performed by post-annealing process, i.e. rapid thermal annealing. The effect of annealing temperature on thermochromic properties is investigated. Though the transmittance increases with increasing annealing temperature, a moderate temperature is suggested by the consideration of atomic inter-diffusion between TiO2 and VO2 layers. It is found that an oxygen-deficient phase of V2O3 appears at low annealing temperatures, while an oxygen-ambient phase of V2O5 presents at high temperatures. Additionally, a ternary compound, Ti3V6O17 is dominant beyond 700°C. The crystalline behavior of monoclinic phase of VO2 and Ti3V6O17 observed from the X-ray diffraction pattern is further examined by high resolution transmission electron microscope. The depth profiling in binding energies of V 2p, O 1s and Ti 2p orbits are compared.

This paper reports the structural, the, optical, the electrical and electrochemical properties of Ni3Sn2S2 sprayed thin film. This ternary compound thin film was prepared by a simple spray pyrolysis method on ordinary cleaned glass substrate at 250 °C by using nickel chloride hexahydrate, tin chloride hexahydrate and Thiourea. XRD analysis showed that Ni3Sn2S2 crystallized in rhombohedra structure belonging to R-3 m (166) space group. Lattice parameters a and α were calculated. Both SEM and TEM observations showed a nanometric character of Ni3Sn2S2 prepared films. Optical analysis via the transmittance and reflectance spectra revealed ahigh absorption of this ternary compound in the visible range. A particular behavior of the absorption coefficient was found around 500 nm (green radiation). On the other hand, the absorptivity, which is the meaning of the absorption coefficient pondered on the IAM1.5 solar emission, was also calculated. Basic electric characteristics in terms of electric conductivity at different temperatures were evaluated show a metallic behavior of Ni3Sn2S2 thin film. Finally, the advances in the actively studied electrode that were emerging as effective alternate based cyclic voltammetry were also discussed.

The Co–Sn–Ti system was studied in the crystallization interval (below ~50 at% Sn) by the methods of Scanning Electron Microscopy, microprobe analysis, Differential Thermal Analysis, X-ray diffraction. The liquidus and solidus projections and the melting diagram were constructed. Only Co 2 TiSn(τ1) ternary compound (Heusler phase-L1 2 ) was found in equilibria with the liquid in the concentration interval studied. Taking into account our recent data, the liquidus projection is characterized by the fields of primary crystallization of (βTi), (Co), binary-based phases Ti 3 Sn, Ti 2 Sn, Ti 5 Sn 3 , Ti 6 Sn 5 , Ti 2 Co, TiCo, TiCo 2 (c), TiCo 2 (h), TiCo 3 , βCo 3 Sn 2 , CoSn and ternary τ1. The solidus projection is characterized by thirteen three-phase fields, which result from invariant four-phase equilibria, five are of eutectic type (E) and eight of transition type (U) and the existence of one more region Ti 2 Sn 3 +βCoSn 3 +(Sn) in the solidus projection is discussed.

A distinct materials combination is presented for tunnel field-effect transistors (TFETs): gallium arsenide phosphide (GaAsP) as a wider-bandgap material in the drain and channel regions with indium gallium arsenide (InGaAs) as a narrow-bandgap material for the source region. The introduction of this novel materials combination greatly improves the ON-state current, OFF-state current, ambipolar behavior, threshold voltage, and subthreshold slope compared with other group III---V ternary heterojunction TFETs. In GaAsP---InGaAs TFETs, the ambipolar current remains equal to the OFF-state current. This paper explores the potential of the proposed device for ultralow-power high-performance applications.

We carry out ab initio electronic structure calculations of (SixSn1 − x)3N4 using density functional theory with projector augmented-wave potentials under the generalized gradient approximation. We find that the energetically favorable structure of Sn3N4 is the face-centered cubic spinel structure, followed by the hexagonal structure which has energy band gaps of 1.85 eV and 1.44 eV respectively. The (SixSn1 − x)3N4 ternary compound can exhibit both cubic and hexagonal crystal structures over the full range of x. However, the cubic structure is found to be energetically favorable for x < 0.3 above which the hexagonal structure of (SixSn1 − x)3N4 dominates. The energy band gap can be tuned continuously from 1.44 eV up to 5.8 eV in the case of the hexagonal crystal structure of (SixSn1 − x)3N4 and from 1.85 eV to 4.82 eV in the case of cubic (SixSn1 − x)3N4. Nevertheless the energy gap of (SixSn1 − x)3N4 is direct only for x < 0.3 when it is cubic and for x < 0.5 when hexagonal. © 2015 Elsevier B.V. 613 43 47 43-47

The ternary compound Sc2Fe3Si5 has attracted much attention because of the various anomalous physical properties. The specific heat experiment and energy band structure calculation suggest that Sc2Fe3Si5 is a two-gap superconductor. Based on this, we analyze the upper critical field for superconducting Sc2Fe3Si5 crystals using the two-band Ginzburg-Landau theory. A two-parameter variational approach is adopted to obtain the upper critical field in arbitrary direction. The temperature and angular dependences of the upper critical field are plotted. The results reproduce the experimental data in a very broad temperature range and strongly support previous specific heat data and theoretical calculation, pointing to the existence of two energy gaps in Sc2Fe3Si5. The anisotropy of the upper critical field is also studied and is about 2, in accordance with the experimental result. Moreover our calculations indicate that Sc2Fe3Si5 has rather a three-dimension character, in agreement with the energy band calculation.

The crystal structures of two new compounds were determined from single-crystal X-ray diffraction measurements: Ni3+xSn4Zn, (x~1.35, a=7.110(2) A, b=4.123(1) A, c=10.346(3) A, β=90.23(2)°, space group I2/m, Z=2. R1=0.025, wR2=0.059 for 748 unique reflections, 35 variable parameters) and Ni6+xSn8Zn, x~1.35 (a=12.379(3) A, b=4.095(1) A, c=12.155(3) A, β=116.25(3)°, space group C2/m, Z=2. R1=0.026, wR2=0.052 for 1346 unique reflections, 60 variable parameters). In addition, a structural refinement was performed for Ni3+xSn4, x~0.13 (a=12.264(3) A, b=4.066(1) A, c=5.223(2) A, β=104.85(3)°, space group C2/m, Z=2. R1=0.019, wR2=0.046 for 617 unique reflections, 29 variable parameters). The three compounds show pronounced similarities among each other as well as to the crystal structures of surrounding binary Ni–Sn and ternary Ni–Sn–Zn compounds. In particular, the two new compounds form a homologous series with Ni3+xSn4, x~0.13. They contain “Ni4Sn4” and “Ni2Sn4” building blocks which by different interconnection build up the distinct structures. Topological relations with NiSn and Ni5−δSn4Zn, δ~0.25 are evident.