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A new ternary compound, Mg11-xZnxSr in the Mg-Zn-Sr system was observed and studied using Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscope (EDS), X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM). The XRD patterns were refined by the Rietveld refinement method and the results revealed that the crystallized Mg11-xZnxSr phase belonged to tetragonal I41/amd space group and had the Cd11Ba prototype. The Mg atoms were successfully doped into Zn11Sr crystal lattice by occupying Zn atomic sites. Moreover, the Rietveld refinement and computational results demonstrated a gradual decrease in the a-axis and c-axis lattice parameters with decreasing concentration levels of Mg coordination substitution in the lattice of Mg11-xZnxSr compound. The elastic constants and modulus of the Mg11-xZnxSr compounds calculated by first-principles calculations (FPC) indicated they were increased with the increasing of Zn content. The variation of hardness, d -band widths and the total density of states for Mg11-xZnxSr compounds with Zn content was discussed.

The long-period stacking ordered phases (LPSOs) in Mg−Ni−Y system have been attracting great interest as effective strengthening components because of their unique structural characteristics and deformation mechanism. However, the phase relationships in LPSOs are complicated and unclear, which restricts the design of advanced magnesium-based alloys. The aim of the present work is to experimentally determine the phase equilibria relationships focusing on LPSOs and establish the thermodynamic description for Mg−Ni−Y system. Four types of LPSOs, that is, 14H, 12R, 18R and 10H, are confirmed through equilibrated alloys and high-resolution transmission electron microscopy (HR-TEM). The formation enthalpies of LPSOs (14H, 12R, 18R and 10H) are calculated based on density functional theories (DFT) calculations. A new ternary compound, termed as τ phase, is observed for the first time which is likely to be the distorted structure of 12R as determined from the TEM image which shows a 12-layer closed packing plane distance of 3.252 nm and a shear angle of 83.2° between (0002) and (10 1 ¯ 0) planes. Based on the determined phase equilibria relationship, the Mg−Ni−Y system is assessed and a self-consistent description is obtained where the LPSOs are modeled as the stoichiometric compounds. The comparison between the calculation result and experimental data suggests the accuracy of the present thermodynamic database in the Mg-rich corner.

The phase equilibria of the Mg–Ag–Cu ternary system at 350 and 400 °C were experimentally investigated using twenty-eight key samples. The phase equilibria and compositions in key samples were investigated using scanning electron microscopy (SEM) equipped with energy-dispersive spectroscopy (EDS). Powder X-ray diffraction (XRD) technique was used to analyze the crystal structure and solid solubility of compounds. Five three-phase equilibria and several two-phase equilibria have been determined at 350 and 400 °C. The solid solubility range of Cu in the compounds Mg3Ag, MgAg and fcc(Ag) were examined at 350 and 400 °C. The maximum solid solubility of Ag in the compound MgCu2 was found to be 11.46 at.% and 11.25 at.% with a constant value of about 66 at.% Cu at 350 and 400 °C, respectively. Besides, the solid solubility limits of Ag in the compounds Mg2Cu and fcc(Cu) were found to be less than 5 at.% at 350 and 400 °C. No ternary compound was observed in the present work.

The effects of joining temperature (TJ) and time (tJ) on microstructure of the transient liquid phase (TLP) bonding of GTD-111 superalloy were investigated. The bonding process was applied using BNi-3 filler at temperatures of 1080, 1120, and 1160 °C for isothermal solidification time of 195, 135, and 90 min, respectively. Homogenization heat treatment was also applied to all of the joints. The results show that intermetallic and eutectic compounds such as Ni-rich borides, Ni−B−Si ternary compound and eutectic-γ continuously are formed in the joint region during cooling. By increasing tJ, intermetallic phases are firstly reduced and eventually eliminated and isothermal solidification is completed as well. With the increase of the holding time at all of the three bonding temperatures, the thickness of the athermally solidified zone (ASZ) and the volume fraction of precipitates in the bonding area decrease and the width of the diffusion affected zone (DAZ) increases. Similar results are also obtained by increasing TJ from 1080 to 1160 °C at tJ=90 min. Furthermore, increasing the TJ from 1080 to 1160 °C leads to the faster elimination of intermetallic phases from the ASZ. However, these phases are again observed in the joint region at 1180 °C. It is observed that by increasing the bonding temperature, the bonding width and the rate of dissolution of the base metal increase. Based on these results, increasing the homogenization time from 180 to 300 min leads to the elimination of boride precipitates in the DAZ and a high uniformity of the concentration of alloying elements in the joint region and the base metal.

In this work, the use of Cd1-xZnxS ternary compound as an alternative ETL layer to CdS in solar cells with FTO/CdS/Sb2(Se1-xSx)3/spiro-OMeTAD/Au structure is evaluated for the first time. Numerical calculations on Sb2(Se1-xSx)3 solar cells with CdS and Cd1-xZnxS as ETL layers are performed for comparison. Experimental data reported for CdS/Sb2(Se1-xSx)3 solar cell are reproduced with good agreement, thereby validating our model. A solar cell efficiency enhancement from 10.0% to 13.3% is found with the use of a Cd1-xZnxS layer with a Zn concentration of 0.4 and a thickness of 70 nm. The impact of defects at Cd1-xZnxS/Sb2(Se1-xSx)3 and Sb2(Se1-xSx)3/spiro-OMeTAD interfaces and Sb2(Se1-xSx)3 bulk on solar cell behavior is evaluated. In particular, we found that defects at Cd1-xZnxS/Sb2(Se1-xSx)3 interface stand as the main limiting factor of this technology. Finally, an efficiency of 14.8% is demonstrated with the reduction of interface defects to values of about 1011 cm−2. Under this condition, more attention should be paid to reducing the effect of series and shunt resistances in order to increase solar cell efficiency from 14.8% to 17.4%.

Ternary compound semiconductor Cu3BiS3 has been perceived as a potential candidate of solar absorber materials in recent years, due to the low–toxic and earth–abundant component elements as well as excellent optoelectronic properties. However, the fundamental properties vital for Cu3BiS3 photovoltaic device have not been fully explored and the efficiency is still at an extremely low level. Herein, a cation doping strategy was introduced during preparing Cu3BiS3 absorber layers to optimize the material properties and thereby improve the device performances. Basing on a one-step solution method, the effects of Ag doping on the structural, optical, electrical and photovoltaic behaviors of Cu3BiS3 film were investigated in detail. Our results demonstrate that appropriate Ag doping can enlarge the grain size, improve the film compactness, enhance the light absorption, broaden the band gap and increase the carrier concentration of absorber layer. As a result, the photovoltaic performance is also evidently promoted, achieving a highest efficiency improvement of ~85% relative to the undoped Cu3BiS3 solar cell device. Higher Ag incorporation, however, causes phase separation and dramatically deteriorates the absorber properties.

Surface vacancies, serving as the activation centers for surface-adsorbed species, have been widely applied in catalysts to improve their activity and selectivity. In the case of ternary compound semiconductors, there is some controversy about exposed atoms and surface defects. Two-dimensional layered BiOCl is an important photocatalyst, which has had numerous studies focused on its oxygen vacancy (OV) and bismuth vacancy (BiV). It has been realized that its (001) surface can consist of exposed halogen atoms rather than oxygen atoms, which thus needs a new explanation for its surface defect engineering mechanism. Using first-principles calculations, the activation behavior of NOX (NO2, NO, N2O) at a chlorine vacancy (ClV) on the BiOCl (001) surface is systematically studied. It is found that after introducing ClV on BiOCl (001) surfaces, NOX molecules all show excellent activities with longer chemical bonds by capturing electrons from the catalyst. Our work furnishes fundamental insight into the activation of small molecules on defect-rich surfaces of ternary compound catalysts.

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.

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.

The CdxMn1-xSe films (where 0 ≤ x ≤ 40 , a t % ) were synthesized by the chemical bath deposition for the prepared photoanodes in the quantum dot sensitized solar cells. Thus, the properties of ternary films as structure, optical properties, and electrical properties were investigated more details. The structure of the CdxMn1-xSe films was characterized using the X-ray diffraction, which indicated the zinc Blende structure corresponding to all samples. The optical properties of the CdxMn1-xSe films were illustrated by the experimental absorption spectra with different doping concentrations, which combined with the Tauc correlation to estimate the absorption density, the optical band gap, the valence band and conduction band positions in the ternary compound CdxMn1-xSe, steepness parameter and electron – phonon interaction. The result shows that the values of optical parameters were very sensitive to the doping concentration as a function composition. Generally, we have optimized the optical properties at 20%-Mn dopant. Moreover, we also studied the electrical properties of the CdxMn1-xSe from photocurrent density curves, which connected with the one J-V method to determine the Rs, RSH dynamic resistances. The recombination resistances, diffusion resistances in TiO2 layer, and TiO2/QDs and counter electrode/polysulfide electrolyte contacts, Rct1, Rct2, were estimated from the fitting of electrochemical impedance spectrum. These results are important to explain the obtained performance efficiency from the J-V curves.

The Ti-Al-Zr-O system has received significant attention as it hosts a variety of phases of industrial interest. In this paper, new experiments on the Ti-Al-Zr-O system aimed at clarifying phase formation depending on the redox conditions with special attention to the formation of ternary compounds and their results have been reported. For the first time a monophase AlTi2O5 sample with a ratio of titanium oxides TiO2:Ti2O3 = 2:1 was obtained and characterized. Single-crystal X-ray diffraction analysis of β-(ZrxTi1-x)2O4 crystals was carried out. The synthesis of the ternary Ti-Al-Zr compound was performed in an evacuated quartz ampoule and accompanied by the extraction of silicon from the ampoule. The compound has pyrochlore-type cubic structure A24+B23+O7 (Fd-3m) and the composition close to (Ti4+1,47(2)Zr0.41(2)Si0.12(1))2(Al1.15(4)Ti3+0.85(4))2O7. We believe that our study is a starting point for future research as it provides first experimental data on the ternary compound in the Ti-Al-Zr-O system.

The phase relationships in the Zn-Al-Ti system at 450 and 600 °C were experimentally determined using equilibrated alloys method. The specimens were investigated by means of scanning electron microscopy coupled with energy dispersive spectroscopy and X-ray diffractometry. Eleven and eight three-phase regions are confirmed in the 450 and 600 °C isothermal sections, respectively. The Ti2Al5 which only exists at high temperature (990-1199.4 °C) in Ti-Al binary system is confirmed in two isothermal sections due to the dissolution of zinc. The T phase is confirmed as a ternary compound rather than an extension phase of TiZn3 at 450 °C. The T2 phase is a new ternary phase stable at 450 and 600 °C in Zn-Al-Ti ternary system.

To experimentally determine the isothermal sections of Co−Mo−Zn ternary system at 600 and 450 °C, the equilibrated alloy and diffusion couple methods were adopted by using scanning electron microscopy coupled with energy-dispersive spectrometry, X-ray diffractometry and electron probe microanalysis. Experimental results show that there are six three-phase regions on the Co−Mo−Zn isothermal section at 600 °C and nine three-phase regions on the Co−Mo−Zn isothermal section at 450 °C. No ternary compound is found in these two isothermal sections. Both the maximum solubilities of Mo in the Co−Zn compounds (γ-Co5Zn21, γ1-CoZn7, γ2-CoZn13 and β1-CoZn) and that of Zn in e-Co3Mo are no more than 1.5 at.%. The maximum solubilities of Zn in μ-Co7Mo6 are determined to be 2.1 at.% and 2.7 at.% at 600 and 450 °C, respectively. In addition, the maximum solubilities of Co in MoZn7 and MoZn22 are 0.5 at.% and 4.7 at.% at 450 °C, respectively.

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.

Due to the resource shortage of indium, the application of 10 wt%- tin doped indium oxide (10 wt%- ITO) with 74.4 wt% of indium is restricted in the field of flat panel display. A new ternary compound TCO material with 53.8 wt% of indium (35 wt%- ITO) was prepared by In2O3-35 wt% SnO2 powders, whose microstructure and properties were studied in comparison to 10 wt%- ITO. The research findings show that: (1) The phase composition of 35 wt%- ITO target is mainly In4Sn3O12 and In2SnO5, without In2O3: Sn phase for 10 wt%- ITO; (2) When films possess the strong crystalline structure, the photoelectric properties of 35 wt%- ITO films are superior to 10 wt%- ITO. In addition, the crystalline structure of 35 wt%- ITO films could be changed from In4Sn3O12 + amorphous to In4Sn3O12 + In2O3 by annealing, but for 10 wt%- ITO, only the crystallinity is changed.

In this study, we present a quantitative analysis of the electrical properties of a series of bottom- gate top-contact n-channel transparent thin film transistors (TFTs) based on zinc indium tin oxide (Zn-In-SnO) ternary compound with various ZnO content. In addition, the effect of annealing on the TFTs electrical properties was examined theoretically and experimentally. The obtained results revealed that the thermal annealing of fabricated devices in air atmosphere at 300 °C has enhanced their performances; this behavior is well observed for all devices fabricated with different composition of Zn-In-SnO. TFTs having the lowest Zn content of 17.1% and annealed 300°C showed the high electrical performances in term of drain current, saturation mobility, threshold voltage. For the total resistance modeling of the fabricated devices with various content of ZnO and that annealed 300 °C, grain boundary model based on Meyer–Neldel rule was applied. The obtained results revealed that the total resistance was increased with increasing ZnO content. Furthermore, an analytical model has been refined in order to reproduce the current-voltage relationships of the fabricated TFTs using the overall resistance obtained from the NMR–GBT model. The calculated results are in good agreement with the experimental measurements of all fabricated devices. The obtained performance of TFTs based on zinc indium tin oxide with low content of ZnO and annealed will be promising for application in the future backplane of flat panel displays.

The influences of Nb-containing oxides and ternary compound in hydrogen sorption performance were investigated. As faster desorption kinetic and lower activation energy were reported by addition of a ternary compound catalyst such as K2NiF6, the influence of KNbO3 on hydrogen storage properties of MgH2 has been investigated for the first time. The MgH2 - KNbO3 composite desorbed 3.9 wt% of hydrogen within 10 min, while MgH2 and MgH2-Nb₂O₅ composites desorbed 0.66 wt% and 3.2 wt% respectively under similar condition. For MgH2 with other Nb-contained catalysts such as Nb, NbO and Nb₂O3, the desorption rate was almost the same as the one registered for as-milled MgH2. The analysis of differential scanning calorimetry (DSC) showed that MgH2-KNbO3 composite started to release hydrogen at ∼335 °C which is 50 °C lower compared to as-milled MgH2 without any additives. The activation energy for the hydrogen desorption was estimated to be about 104 ± 6.8 kJ mol−1 for this material, while for the as-milled MgH2 was about 165 ± 2.0 kJ mol−1. It is believed that Nb-ternary oxide catalyst (KNbO3) showed a good catalytic effect and enhance the sorption kinetics of MgH2.

The single crystals of BaIn2Te4 have been synthesized at 1173 K using the sealed tube solid-state method. The polycrystalline sample of the compound was also synthesized by stoichiometric reaction of elements with intermittent grinding and annealing at 1123 K. The crystal structure of BaIn2Te4 has been established by single crystal X-ray diffraction study at 298(2) K. It crystallizes in space group D 2 h 20 −Cccm of the orthorhombic crystal system with unit cell dimensions of a = 7.1417(14) A, b = 12.034(2) A, and c = 12.107(2) A with four formula units. The structure of BaIn2Te4 is related to the tetragonal binary TlSe structure (space group: I4/mcm). The crystal structure of BaIn2Te4 features one-dimensional chains of 1 ∞ [In2Te42−] that are separated by filling of Ba atoms. Indium atoms in these chains are surrounded by four Te atoms that form distorted tetrahedron geometry around In atoms. This compound does not show any homoatomic bonding and is having a closed shell electronic configuration. Thus, it can be easily charge balanced as Ba2+(In3+)2(Te2−)4. The phase purity of the polycrystalline BaIn2Te4 sample was established by the powder X-ray diffraction study. The direct band gap of 1.36(2) eV was estimated from the optical absorption study at room temperature. This ternary compound is an n-type semiconductor as suggested by the negative sign of the Seebeck coefficients (S). The absolute value of S was found to be decreasing on heating the polycrystalline BaIn2Te4 sample. The temperature-dependent resistivity study confirmed the semiconducting nature of the BaIn2Te4 sample. The thermal conductivity (κtot) values of polycrystalline BaIn2Te4 were found to be extremely low and were decreasing with raising the temperature with the lowest value of 0.30 Wm−1K−1 at 965 K. Hence, BaIn2Te4 and its analogs with related structures could be promising materials for thermoelectric applications by further optimization of carrier concentrations to improve electrical transport properties.

With assistance of Mo interlayer, joining of Cf/SiC composite to GH783 superalloy was carried out using NiPdPtAu-Cr filler alloy. Under the brazing condition of 1200 °C for 10 min, the maximum joint strength of 98.5 MPa at room temperature was achieved when the thickness of Mo interlayer was 0.5 mm. Furthermore, the corresponding joint strength tested at 800 °C and 900 °C was even elevated to 123.8 MPa and 133.0 MPa, respectively. On one hand, the good high-temperature joint strength was mainly attributed to the formation of the refractory Mo-Ni-Si ternary compound within the joint. On the other hand, the residual Mo interlayer as a hard buffer, can release the residual thermal stresses within the dissimilar joint. The Cf/SiC-Mo bonding interface was still the weak link over the whole joint, and the cracks propagated throughout the whole reaction zone between the Cf/SiC composite and the Mo interlayer.

International audience; The structure, the chemistry, and the magnetic properties of MnCoGe thin films elaborated by reactive diffusion were investigated. In situ X-ray diffraction (XRD) was used to study phase formation during thin film reaction. MnCo, MnGe, and CoGe binary systems were studied before investigating phase formation during Mn-Ge-Co ternary system reaction. Three pure layers of Mn, Ge, and Co were successively deposited by magnetron sputtering on SiO2 to form a 200 nm-thick Co/Ge/Mn stack, and annealed. Six phases were observed during reaction, first following the sequential phase formation observed for the binary systems at the two Mn/Ge and Ge/Co interfaces, and ending with the formation of a single ternary compound MnCoGe at 673 K. The structure and the composition of the MnCoGe films were characterized using XRD, atomic force microscopy, transmission electron microscopy, and energy dispersive X-ray spectroscopy. The magnetic properties of the films were studied using superconducting quantum interference device (SQUID) and ferromagnetic resonance (FMR) measurements. The obtained MnCoGe thin films are polycrystalline with the stoichiometric composition Mn:Co:Ge(1/3:1/3:1/3), and show high porosity. They are made of grains exhibiting both the Ni2In-type hexagonal structure and the TiNiSi-type orthorhombic structure.

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 phase equilibria of Gd-Fe-Cr system were investigated at 800 °C by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS). The isothermal section of the phase diagram consisted of eight single-phase regions, eight two-phase regions and seven three-phase regions. The binary compounds GdFe2, GdFe3, Gd2Fe17, σ(FeCr) and the ternary compound GdFe10Cr2 were confirmed. Conversely, the binary compound Gd6Fe23 was unstable at the level of 800 °C. The maximum solid solubilities of Cr in GdFe2 and Gd2Fe17 were about 11.7 and 13.2 at. % Cr respectively. The compound GdFe12−xCrx with the ThMn12-type structure (space group I 4 / m m m ) has a broad solubility ranging from 15.4 to 23.1 at. % Cr.

The phase equilibria in the Al-Ni-La system and the microstructure and mechanical properties of the alloys with varying La and Ni contents were investigated by using thermodynamic calculations (Thermo-Calc software), electron microscopy, energy dispersive spectrometer and tensile test. It is shown that the microstructure of the most promising alloys with La contents of up to 8 wt% and Ni contents of up to 5 wt% consists of Al primary crystals and ultrafine ternary eutectic (particle thickness is about 30–70 nm) which in turn consist of binary Al3Ni and Al4La compounds. However, at an excessive concentration of La and Ni, the formation of the previously undescribed Al9LaNi2 ternary compound is observed. The actual structure of the ternary diagram is proposed based on experimental data. Uniaxial tensile testing of the promising Al7La4Ni alloy in as-cast state revealed an ultimate tensile strength of about 250 ± 10 MPa, a yield strength of 200 ± 10 MPa and a ductility of 3.0 ± 0.2%.

Tb-Si intermetallics have been recognized as interesting magnetic and electrical materials. The addition of Cr can modify the property and broaden the application of Tb-Si intermetallic compounds. Understanding phase relations, phase stability and microstructural changes of relative systems are essential for tuning and improving performance of this type of materials. In this work, phase relationships in the Tb-Si-Cr ternary system have been studied based on phase and microstructure identification of key equilibrated alloys. Isothermal sections of this system at 1273 K and 1073 K were experimentally constructed by means of electron probe microanalysis, X-ray diffraction, and differential thermal analysis. As one of results, the ternary compound TbSi2Cr2 was confirmed to exist at both 1273 K and 1073 K. In addition, remarkable solubilities of the third element were detected in some binary compounds. The solubility of Cr in Tb2Si3-δ and TbSi at 1273 K are about 4.0 and 9.1 at%, respectively. The solubility of Cr in Tb5Si3 increases from 3.0 at% at 1273 K to 6.2 at% at 1073 K. Besides, the compound Tb2Si3-δ were determined to be stable ranging from 1098 ± 25 K to 1513 ± 10 K, based on the analysis of microstructure. Moreover, the annealing temperature dependence of micro-hardness for Tb2Si3-δ intermetallic phase was investigated by nano-indentation.

The phase equilibria at 1473, 1373 and 1273 K in the Fe–Ta–Ti system were investigated by means of Scanning Electron Microscopy (SEM) with Energy Dispersive Spectrometer (EDS) and X-ray Diffraction (XRD). The experimental results indicated that Fe2Ta and Fe2Ti formed the continuous solid solution phase Fe2(Ta,Ti). No ternary compound was found in this system. The temperature of invariant reaction liquid + Fe7Ta6 → FeTi + bcc(Ta,Ti) was measured as 1431 K by Differential Thermal Analysis (DTA). Based on the experimental results in the present work, the Fe–Ta–Ti system was optimized using CALPHAD technique. A set of self-consistent thermodynamic parameters for the Fe–Ta–Ti system was obtained, and the experimental isothermal sections at 1473, 1373 and 1273 K were reproduced well.

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.

Actinide nitrides possessing the advantages of high burn-up, superior thermophysical properties and easy reprocessing in nitric acid, are currently considered as promising fuels for advanced nuclear reactors. In this work, a systemic study on the stability, mechanical and thermodynamic properties of (Pu, Zr)N was conducted employing the first-principles density functional theory approaches. We found that the ternary compound (Pu, Zr)N tends to exist in the form of single cubic NaCl-type solid solution, confirmed by incorporation and solution energies of Zr in PuN crystals. The calculated elastic constants of the (Pu, Zr)N crystals satisfy the stability criteria of tetragonal structures, proving their mechanical stability. It is revealed that the elastic constants and mechanical properties such as mechanic moduli and Poisson's ratio monotonically change with the concentration of Zr in (Pu, Zr)N crystals. Additionally, the specific heat also changes monotonically with the concentration of Zr derived from phonon-dispersion spectrums. The obtained results can shed light on the understanding of plutonium nitride materials in the nuclear energy cycles.

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.

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.

The liquidus surface projection and isothermal section at 1273 K of the Ni–Ti–V system were established using X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy dispersion spectroscopy (EDS), electron probe micro-analyzer (EPMA) and differential thermal analysis (DTA) techniques. Six primary solidification regions and four invariant reactions were deduced in the liquidus surface projection, and six three-phase regions were derived in the isothermal section at 1273 K. No ternary compound was observed. According to the experimental results in the present work and literatures, the Ni–Ti–V system was modeled by means of the CALPHAD (CALculation of PHAse Diagram) method. Two-sublattice model (Ni,Ti)10(Ni,Ti)20 for binary σ phase was used, and the thermodynamic parameters of the σ and NiV3 phases in the Ni–V system was reassessed. Solution phases (liquid, fcc, bcc and hcp) were modeled with the substitutional solution model in the Ni–Ti–V system. The compounds, Ni3Ti, NiTi2, Ni3V and σ, were treated as (Ni,Ti,V)m(Ni,Ti,V)n, and B2 were treated as (Ni,Ti,V)0.5(Ni,Ti,V) 0.5Va3. A set of self-consistent thermodynamic parameters of individual phases was obtained.

The development of efficient non-noble bifunctional electrocatalysts for the overall water splitting is a pressing and challenging task. In this work, we report a sea urchin-like cobalt phosphosulfide (CoPS) ternary compound for overall water splitting. Because CoPS contains more than one nonmetallic element, ternary compounds possess dianions might lead to modulated electronic structure and thus modified their electrocatalytic properties. Our DFT calculation results reveal that the ternary CoPS exhibits favorable performance for both the oxygen evolution reaction and hydrogen evolution reaction. Experimentally set as cathode and anode in a full cell for overall water splitting, the CoPS cell needs a voltage of only ∼1.59 V to reach a current density of 10 mA cm−2 and has outstanding stability. Our results open up a path to search for alternative bifunctional electrocatalyst materials to substitute for noble metals in overall water splitting.

Considerable efforts have been made to develop hematite as a promising material for photoelectrochemical (PEC) water splitting. However, the fast recombination of carriers in the bulk and on the surface greatly constrains the solar-to-chemical fuel conversion efficiency. Herein, a precise method was utilized to alleviate the recombination by constructing p-n junction of CaFe2O4/α-Fe2O3 and further modifying with Co3O4. The structural information and chemical composition of the ternary compound were systematically characterized. The photocurrent density at 1.23 V vs RHE (reversible hydrogen electrode) of the photoanode increased by five times compared to the bare α-Fe2O3, and the onset potential also shifted negatively to 0.6 V vs RHE. The formation of p-n junction and surface Co3O4 modification were proven to enhance the charge separation in the bulk and on the surface, respectively. Also the Co3O4 played a bifunctional role of passivating the surface states and accelerating the water oxidation kinetics.

Investigation of the electronic structure of ZnSnAs2, a semiconducting ternary compound and its optical properties has been made to showcase its usefulness in the field of photonic devices. The computational electronic property calculations like density of states, energy bands, dielectric tensor’s real and imaginary component and optical properties like absorption coefficient, reflectivity and refraction have been performed using generalized gradient approximation within the full potential linearized augmented plane wave method. Our computations reveal that ZnSnAs2 has a direct band gap of 0.42 eV. Inter-band transitions are the elaboration of the peaks arising from the origin in a dielectric tensor’s imaginary component. The notable intensity lying between energy ranges 3–5 eV in spectra of absorption presents use of such compounds in various optoelectronic devices.

The 800 °C isothermal section in the Al-Zn-Zr system was investigated using the equilibrated alloy method and the solid/liquid diffusion couple approach by means of scanning electron microscopy equipped with energy dispersive spectroscopy, X-ray powder diffraction and electron probe microanalysis. Thirteen three-phase regions are experimentally confirmed in the ternary system. A ternary compound Zn50Al25Zr25 named as T phase exists stably in the 800 °C isothermal section. Its composition range varies widely (16.84-55.1 at.% Zn, 18.02-56.3 at.% Al and 26.0-28.53 at.% Zr), and it can be in equilibrium with all the binary compounds. The maximum solubilities of Zn in Zr3Al, Zr2Al, Zr3Al2, Zr4Al3, ZrAl, Zr2Al3, ZrAl2 and ZrAl3 are 7.5, 0.84, 0.33, 0.89, 0.91, 1.12, 0.64 and 3.8 at.%, respectively. The maximum solubilities of Al in Zn3Zr, Zn2Zr and ZnZr are 1.6, 1.3 and 13.6 at.%, respectively.

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.

The ternary intermetallic compound SbSnTi is known for a reversible uptake of Li at low potentials versus pure Li and is therefore a candidate as anode material for use in Li-ion batteries (LiBs). Up to now, no phase diagram data for the ternary Sb-Sn-Ti system have been reported in literature, which is, however, crucial for the understanding of the lithiation process. In this work isothermal sections of this system at 600 °C, 800 °C and 1000 °C were acquired for the first time. They are based on powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM/EDX) investigations of alloy samples. During our investigations two new ternary phases, SbxSn19-xTi15 and (SbxSn1-x)3-yTi5+y, were recognized from PXRD patterns; the crystal structures were subsequently determined by single-crystal X-ray diffraction. SbxSn19-xTi15 crystallizes with the cubic space group Pm-3 (No. 200), the lattice parameter is a = 8.8502 A. (SbxSn1-x)3-yTi5+y shows tetragonal symmetry with the lattice parameters a = 10.553 A and c = 5.3982 A and the space group I4/mcm (No. 140). A further ternary compound, Sb4SnTi5, could be identified; its incommensurate crystal structure could not yet be fully described.

BGaAs/GaAs epilayers and BInGaAs/GaAs quantum well (QW) have been prepared using metal-organic chemical vapor deposition under different growth conditions, and their physical and structural properties have been examined. SEM-EDS investigation showed a dependence of surface properties of the ternary compound on the growth conditions. High-resolution X-ray diffraction evidenced a tensile strain for the ternary alloys whatever the growth condition, while the quaternary QW always shows a compressive strain state. Room temperature optical absorption allowed to follow the variation of the bandgap with boron incorporation. Photoluminescence measurements confirmed the carrier-localization phenomenon and its dependence with the growth conditions. Deposition temperature and diborane (B2H6) flow rate are with particularly significant effects on the optical properties: lower diborane flow rate and high growth temperature enhance the radiative emission. Computer simulation using localized state ensemble model quantitatively relates the lattice inhomogeneity to the optical properties and suggests a way to engineer the localization phenomenon and avoid clustering effects. Electrical investigations by current-voltage, capacitance and conductance methods have been performed for the first time on selected BGaAs samples. The ideality factor of Schottky barriers has been determined, while their height and film doping level could only be approximately estimated. Such physical properties make boron-based alloys very promising for applications in multijunction solar cells.

Spark plasma sintering (SPS) was used to fabricate the Co−Hf−Mo−Ni diffusion multiple in a designed geometry to contain two Co−Hf−Mo and Co−Hf−Ni diffusion triples in one sample, which offers a high-efficiency and low-cost method for preparing this diffusion multiple. In this work, the phase equilibria of the Co−Hf−Mo system at 1373 and 1223 K were established according to the analysis of results obtained using a scanning electron microscope (SEM), X-ray diffraction (XRD), and electron probe microanalysis (EPMA) from annealed diffusion triples and equilibrated alloys. The homogeneity range of the ternary compound τ with Hf9Mo4Co structure was verified in diffusion triples, and solubilities of Mo in Co−Hf, Co in Mo−Hf, and Hf in Co−Mo binary compounds were detected at 1373 and 1223 K. The isothermal sections over the entire composition range at 1373 and 1223 K were successfully constructed. The obtained phase equilibria data provide guidance for the development of multicomponent γ/γ′ Co-based superalloys

We studied the effect of Mn on the structure and properties of Cd3−xMnxAs2 crystals with x = 0–0.24, synthesized by direct fusion of high-purity elements. Obtained X-ray diffraction patters suggest that the incorporation of Mn promotes a structural phase transition from primary α-Cd3As2 (x = 0) phase to the α''– Cd3As2 (x = 0.24) phase, while at intermediate compositions both phases can coexist. In addition, the increase of Mn content results in the decrease of lattice cell parameters, which effectively saturates for x > 0.13. Microstructural, calorimetric and magnetometry studies suggest that at high Mn content (x = 0.24) secondary MnAs phase appears. Using obtained results, we estimated the solubility limit of Mn in Cd3As2 as x~0.13, which corresponds to the formation of ternary Cd3−xMnxAs2 compound where Cd atoms are partially substituted by Mn. Formation of ternary compound was also suggested by the results for Cd3As2 + MnAs composite systems, where we also observed the presence of CdAs2 phase, which is a byproduct of corresponding reaction. Additional studies suggested that the CdAs2 phase formation in composite system can be prevented if one uses the Cd3−xMnxAs2 compound instead of pure Cd3As2 as a matrix material.

The isothermal section at 1273 K of the Co–Ni–Ti system was determined using equilibrated alloys by means of scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction (XRD). The experimental results indicated that eight three-phase regions and a ternary compound τ with Co3V-structure existed. Meanwhile, this system was thermodynamically modeled using the CALculation of PHAse Diagram (CALPHAD) method. The isothermal section at 1273 K measured in this work as well as the four isothermal sections at 1373, 1273, 1223 and 1173 K and the liquidus surface projection from the literatures were taken into account in the present optimization work. A set of self-consistent thermodynamic parameters of the Co–Ni–Ti system was first derived.

Herein, we synthesize dense, predominantly single-phase polycrystalline samples of the Mn2AlB2 ternary compound, using reactive hot-pressing of manganese, aluminum, and boron powder mixtures under vacuum. With a Vickers hardness of 8.7 GPa, Mn2AlB2 is relatively soft for a transition metal boride and lacked dominant cracks at the corners of the indentations. With Young’s and shear moduli of 243 GPa and 102 GPa at 300 K, respectively, it is reasonably stiff. The Poisson’s ratio is calculated to be 0.19. With compressive strengths of 1.24 ± 0.1 GPa, the samples were quite strong considering the grain size (1–15 μm). The electrical resistivity at 300 K was ∼5 μΩm and decreased linearly upon cooling. At 0.0036 K−1, the temperature coefficient of resistivity was relatively high compared to MoAlB. The average linear thermal expansion coefficient was also found to be relatively high at 18.6 × 10-6 K−1 from 298 to 1173 K. Mn2AlB2 was not thermally stable above ∼1379 K. While Mn2AlB2 was not machinable with conventional tooling, intriguingly, high-speed carbide tools bits readily penetrate the surface – with no cracking or chipping for a few millimeters – before stopping.

On the basis of all the presently determined experimental data, as well as the formerly reported isothermal sections of the Ce-Co-Sb ternary system, it was thermodynamically assessed by means of CALPHAD technique. For Ce-Co and Co-Sb binary systems, thermodynamic parameters previously obtained were considered and a re-assessment work of the Ce-Sb system is presented. In particular, the Kaptay exponential model, rather than the Redlich-Kister polynomials, is used to describe the interactions between Ce and Sb in the liquid phase of the Ce-Sb system, mainly to avoid the abnormal miscibility gap of liquid phase in the Ce-Co-Sb system at the Co rich region, and also to guarantee the consistent phase equilibria between the experimental isothermal sections and the calculated ones of the Ce-Co-Sb ternary system. The ternary compound CeCouSb2 is modeled as Ce2/9(Co%,Va)1/3Sb4/9 in order to describe the fluctuation of Co atoms in this compound. The ternary compound CeCoSb3 is regarded as a stoichiometric phase. The previously optimized thermodynamic parameters of other phases were adopted in the present work. A set of self-consistent thermodynamic parameters were finally obtained and fit well with the experimental results from various literatures, which will contribute to the further development of the CoSb3-based thermoelectric materials, especially from the perspective of the couping of electron-phonon interactions.

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.

Current commercial thin film photovoltaic technologies rely on the use of scarce and/or toxic elements, motivating the necessity to explore new technologies free of critical raw materials. In this work we report the first Cu3BiS3 based solar cells with proved photovoltaic activity using standard substrate configuration. The absorbers were synthesized using a sequential process based on metallic stacks evaporation followed by a reactive annealing under S atmosphere. With the optimization of composition (Cu/3: Bi ratio), metallic stack order, annealing parameters and Na doping, we achieve a record conversion efficiency of 0.11%. Combining several characterizations techniques, we show that at this stage of the technology development, issues like composition, secondary phases and morphology cannot explain the low efficiencies obtained with this material. Through a deeper characterization of the devices, we found that most probably, this is related to either, a high doping of the absorber, and/or poor transport charge properties. Understanding and solving these issues, can further help to improve the efficiency of Cu3BiS3 based devices towards more competitive conversion efficiencies.

In order to progress in the development of Lead-cooled Fast Reactors, from the safety point of view it is essential to understand the chemical compatibility between liquid lead and uranium oxide. In the present work, entropy and heat capacity of Pb3U11O36, a possible ternary compound coming from fuel-coolant chemical interaction, were determined for the first time. Entropy at 298.15 K was obtained from low temperature heat capacity measurements using the Physical Property Measurement System (PPMS) in the temperature range 2–300 K, while the high temperature heat capacity has been measured by a drop calorimeter from 373 K to 1200 K. The experimental thermodynamic properties were compared with the values computed by means of DFT-GGA simulations, obtaining a very good agreement.

The 150 °C isothermal section of Li–Si–Mn ternary system has been investigated experimentally and extrapolated using the optimized thermodynamic parameters from the constitutive binary systems. About 30 ternary alloys were examined by means of scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS) and X-ray diffraction (XRD). Nine three-phase regions have been detected, i.e. Li12Si7+Mn11Si19+(Si), Li12Si7+MnSi+Mn11Si19, Li7Si3+Mn5Si3+MnSi, Li7Si3+Mn5Si3+Li13Si4, Li22Si5+Mn5Si3+Mn3Si, Li22Si5+Mn3Si+Mn9Si2, Li22Si5+Mn9Si2+Mn6Si, Li22Si5+Mn6Si+(Li) and (Li)+(αMn)+Mn6Si. No ternary compound has been observed for this ternary system. Furthermore, thermodynamic assessment of Li–Mn binary system has been carried out with the CALPHAD approach on the basis of the experimental data. And the thermodynamic parameters of the Si–Mn system from literature have been revised. The compounds MnSi1.75-x and MnSi were simply modeled by the sublattice models as (Mn)11(Si)19 and (Mn)1(Si)1 respectively to adapt to the multicomponent system. Thermodynamic extrapolation of the Li–Si–Mn ternary system showed good agreement with the experimental phase relationships.

We report here a comprehensive investigations of the band structure, magnetic properties, electrical transport, and specific-heat for ternary compound Ce5RuGe2 that crystallize in orthorhombic Y2HfS5-type structure. The results show a complex magnetic structure with the field-induced metamagnetic transitions in coexistence with spin-glass-like phase, displayed in the magnetic H − T phase diagram. Simultaneously, a combined experimental and theoretical study based on x-ray photoelectron spectroscopy (XPS) data together with ab initio band structure calculations indicate a mixed valence of Ce due to strong hybridization between Ce 4 f states and conduction band. The obtained magnetic ground state of Ce5RuGe2, resulting from localized f-electron states and accompanying strong hybridization effect leading to valence instability of cerium ions are rarely observed for Ce-based intermetallic compounds.

The 600 and 800 °C isothermal the sections of Al-Si-La ternary system between 0 and 50 at.% La have been established via a combination of electron microprobe analysis and X-ray powder diffraction. A total of three ternary compounds were confirmed in this work and temporally designated τ1, τ2 and τ3. The three ternary compounds (τ1-τ3) were found at 600 °C. The ternary phase τ1 spans 43.3 at.% to 61.5 at.% Al, 5.0 at.% to 21.3 at.% Si, and 33.5 at.% to 35.5 at.% La. One ternary compound, τ1, was identified at 800 °C. The τ1 phase spans 43.6 at.% to 62.6 at.% Al, 4.1 at.% to 22.5 at.% Si, and 33.1 at.% to 35.2 at.% La. The solubility of Al in LaSi2-α2 is 39.9 at.% and 41.3 at.% at 600 and 800 °C, respectively. The solubility of Si in Al2La at both 600 and 800 °C is extremely small.