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The article discusses the physicochemical principles for the production of alumina cements based on nickel and cobalt spinel. The results of tetrahedration of the CaO–Al2O3–CoO– NiO system, which undergoes changes due to solid-state exchange reactions in the hightemperature region of the CaO–Al2O3–CoO subsystem at a calculated temperature of 1439 K, as well as the decomposition of the Ca3CoAl4O10 ternary compound near 1530 K, are presented. Thermodynamic analysis establishes the stability of the conodes of the above system, allowing for its triangulation. Modifications of the subsolidus structure are combined and given for the temperature of 1530 K. All binary, ternary, and quaternary combinations thermodynamically stable in the subsolidus region of the system under study are presented. Topological graphs depicting the interconnection of elementary tetrahedrons, which allow the prediction of solid-state processes in multi-component systems, have been constructed. Based on the study of the structure of the CaO–Al2O3–CoO– NiO system, the possibility of technological forecasting of heterophase materials with high-performance characteristics is substantiated. [ABSTRACT FROM AUTHOR]

Phase equilibria of the Ti-Ga-Sn system have been determined at primary crystallization and at 1000 °C in the composition interval ~ 50-100 at.% Ti based on differential thermal analysis, x-ray powder diffraction, scanning electron microscopy and electron microprobe analysis. Partial liquidus and solidus projections, the melting diagram, a number of vertical sections, isothermal section at 1000 °C, as well as the reaction scheme (Scheil diagram) for the Ti-Ga-Sn system were constructed. A ternary compound Ti5GaSn2 (τ) (Nb5SiSn2-type structure, tI32-I4/mcm), found by us previously, forms by peritectic reaction L + Ti2(Sn, Ga) + Ti5(Sn, Ga)3-4 ⇄ τ at 1500 °C and has a wide homogeneity range from 9 to 23.5 at.% Ga at solidus temperature and from 4 to 34 at.% Ga at 1000 °C, and located along constant composition of ~ 62.5 at.% Ti. D88-type compounds Ti5Sn3 and Ti5Ga4 form a continuous solid solution, denoted Ti5(Sn, Ga)3-4, at all investigated temperatures. Ga-poor part of it (below ~ 12.5 at.% Ga) forms by an interstitial mechanism, while in the interval above ~ 12.5 at.% Ga it is a substitutional phase. Isostructural compounds Ti2Sn and Ti2Ga also form a continuous solid solution Ti2(Sn, Ga) at solidus temperatures, which decomposes with decreasing temperature. Meanwhile, at 1000 °C, one more continuous solid solution Ti3(Sn, Ga) forms between isostructural compounds Ti3Sn and Ti3Ga. [ABSTRACT FROM AUTHOR]

The new ternary intermetallic compound ZrAl0.23Ge1.77 was observed after annealing at 600°C, and its crystal structure was determined by X-ray single-crystal diffraction. The structure (own structure type, Pearson symbol tI32-8, space group I41/amd, a = 3.8013(2), c = 29.893(3) Å, Z = 4) is a variant with partial positional disorder of the pseudo-binary structure type Zr0.75AlSi1.25. The structures are members of the family of linear intergrowth structures composed of AlB2-type slabs (layers of centered trigonal prisms) and CaF2-type slabs (layers of empty “half octahedra”), here in the ratio 1:2. The structure of ZrAl0.23Ge1.77 is characterized by statistical occupation by Al and Ge of one of the sites forming the CaF2-type slabs and positional disorder of the Ge atoms that form zig-zag chains along the crystallographic direction [100].

The isothermal section at б 00°C of the phase diagram of the ternary system Gd-Ge-Sn was constructed in the whole concentration range, based on X-ray powder diffraction and energy-dispersive X-ray spectroscopy. The formation of two continuous solid solutions, GcijGe.j-jSn (x=0-4, structure type SmsGe41 Pearson symbol oP36, space group Pntna, д=7.8565(12)-?.040(2), 6 = 14.812(2)-15.552(3), c=7.7781(12)-8.201(2) A) and GdsGea-JSn* (x=0-3, structure type Мпіз, fiP16, a= 8.57 02(8)-9.03 06 (13), c=6.430 5(5)-6.5 941(10) A), and limited solid solutions based on the binary compounds GdllGel0 (6 at.96 Sn), GdSn, (5.5 at.96 Ge), Gdn, (2 at.96 Ge), GdSn2 (5 at.96 Ge), and GduSn (3.5 at.96 Ge) was established. Three following ternary compounds were found in the system at 600°C: GcGejSn«.». GdGeftTS_<).8SSn1.iS_x.ls, and GdjGeSn«,. The detailed crystal structures of two of them were refined on X-ray powder diffraction data: GdGe0JS_<).8SSnl.2S_l.U1 structure type ScCoft2SSilTS, o512, Стет, д=4.3206(4)-4.3035(4), 6=16.4824(15j-16.443 3(14), c=4.1270(4)-4.0961(4) A and Gd2Ge2.9lSnm, structure type GdjGej jjBi, oS32, Cmcnt, a=4.0445(6), 6=30.473(5), c=4.1694(6) A. The third compound, GdjGeSn, adopts the structure type NcLjGeSr. The crystal structures are closely related and are built from layers of Gd trigonal prisms centered by Ge atoms (or in part by Sn atoms) and square-mesh nets of Sn atoms (or in part Ge atoms), which alternate along the crystallographic direction [010]. Partial disorder of Ge and Sn atoms is observed. [ABSTRACT FROM AUTHOR]

A novel h-CdS/c-CdSe ternary compound heterojunction catalyst CdSS is constructed from isomerism hexagonal CdS and cubic CdSe. The isomerism hexagonal CdS and cubic CdSe is the key factor to obtain the CdSS heterojunction, as compared, ternary compound CdSSe can only be prepared from isomorphic hexagonal CdS and hexagonal CdSe. Under different S:Se ratio, the main XRD peaks of CdSS displayed continuous shift between related CdS and CdSe peaks that confirms the S and Se atoms embedding CdSe and CdS lattice respectively to form atomic level ternary compound heterojunction. The photoelectrochemical and electrocatalytic results show that the CdSS catalysts have boosting properties. Under an optimal S:Se ratio, the photocurrent density of the CdSS reach 8.23 μA/cm2, which was 4.5 times that of original CdS (1.83 μA/cm2), 4.9 times of CdSe (1.67 μA/cm2) and 5.1 times of CdSSe (1.60 μA/cm2). The hydrogen evolution reaction Tafel slope of CdSS also declined 60% compared with CdS and 64% compared with CdSe. The electrocatalytic impedance and fluorescence spectra fully show that CdSS has lower internal resistance and low electron-hole recombination efficiency due to the atomic level heterojunction. The work develops a new strategy to construct high efficiency atomic level ternary compound heterojunction between isomerism homologous element compounds. A novel h-CdS/c-CdSe ternary compound heterojunction catalyst CdSS is constructed from isomerism hexagonal CdS and cubic CdSe. The isomerism hexagonal CdS and cubic CdSe is the key factor to obtain the CdSS heterojunction. [Display omitted] • A novel h-CdS/c-CdSe heterojunction catalyst CSS is constructed from isomerism h-CdS and c-CdSe. • The isomerism h-CdS and c-CdSe is the key factor to obtain the h-CdS/c-CdSe heterojunction. • A isomorphic ternary compound CdSSe is compared from isomorphic h-CdS and h-CdSe. • The isomerism CSS is conformed to has the highest PEC and HER performance. • The high carrier separation heterojunction is formed between h-CdS and c-CdSe. [ABSTRACT FROM AUTHOR]

Using X-ray diffraction phase and structural analysis and partially microstructural analysis methods the phase equilibria in the ternary system Pr–Cu–Ge were investigated and the isothermal sections of the phase diagram of the system at 870 K (0–50 at.% of Pr) and 670 K (50–100 at.% of Pr) were constructed. The existence of seven ternary compounds PrCu2Ge2, Pr2CuGe6, Pr2Cu3Ge3, PrCu0.817Ge2, Pr6Cu8Ge8, PrCu1.25–0.95Ge0.75–1.05, PrCu0.77–0.5Ge1.23–1.5 was established at 870 K. Only one ternary germanide ~ Pr0.6Cu0.22Ge0.18 with undetermined crystal structure was found in R rich range at 670 K. All ternary germanides are formed at constant composition except phases with AlB2 structure type. Appreciable solubility of the third component in the compounds of binary systems was not observed. The structure parameters were determined for ternary germanides: Pr2CuGe6 (structure type (ST) Ce2CuGe6, Pearson symbol (PS) oS18, space group (SG) Amm2, a = 4.19300(4) Å, b = 4.05742(4) Å, c = 21.4823(2) Å, RI = 0.0686, RP = 0.0993), PrCu1.25Ge0.75 (ST AlB2, PS hP3, SG P6/mmm, a = 4.2922(2) Å, c = 3.9193(3) Å, RI = 0.0543, RP = 0.1036), PrCu0.72Ge1.28 (ST AlB2, PS hP3, SG P6/mmm, a = 4.19347(6) Å, c = 4.1817(1) Å, RI = 0.0504, RP = 0.0728). Relationships of investigated system Pr–Cu–Ge with previously studied R–Cu–Ge systems, and structure peculiarities of established ternary germanides of Cu and Pr were analyzed. [ABSTRACT FROM AUTHOR]

Dolomite@Al2O3 spherical particles with core–shell structure were fabricated by using the dolomite powders as the core and wrapping corundum powders on their surface. The phase evolution and microstructure of the dolomite@Al2O3 spherical particles with different firing temperatures were studied. As the spherical particles fired at different temperatures, the dolomite in the spherical core decomposed into MgO and CaO. Due to the Kirkendall effect, MgO and CaO diffused into the shell of the spherical particle and left Kirkendall holes in the core. The holes produced by the Kirkendall effect and the decomposition of dolomite act together to form a hollow structure in the center. And during the diffusion process, MgO and CaO reacted with corundum to generate spinel and calcium hexaaluminate. A small amount of spinel and calcium hexaaluminate can form a ternary compound Ca2Mg2Al28O46. Moreover, simulation software Factsage and Abaqus were used separately to help prove the phase evolution and the introduction of spherical particles to the properties of refractories. To test the lightweight effect of dolomite@Al2O3 spherical particles on refractories, it was introduced into spinel–corundum refractories as medium particles in different content and fired at different temperatures. The results show that after firing at 1650°C for 3 h with introducing 30% dolomite@Al2O3 spherical particles, the samples can reach a high compressive strength (128 MPa), high refractoriness under load (1683°C), and low thermal conductivity (1.79 W (m K)−1). [ABSTRACT FROM AUTHOR]

HfO 2 -based mixtures, such as HfO 2 -Al 2 O 3 , play an important role in high-power laser optics and metal oxide semiconductor devices due to their high laser damage resistance and high dielectric constant. However, comprehensive insights into the microstructure and chemical state of HfO 2 -based mixtures at the atomic level are limited, partly because the extremely large fourfold coupling constant of hafnium makes it difficult to characterize. Herein, the Al structures in HfO 2 -Al 2 O 3 mixtures were investigated and compared with that of Al 2 O 3 using solid-state nuclear magnetic resonance (NMR) spectrometry, time-of-flight secondary ion mass spectrometry (TOF-SIMS), and conventional spectroscopic and microscopic techniques. 27Al NMR spectra show that the Al coordination resonances in HfO 2 -Al 2 O 3 mixtures change with the Al content. The content of five-coordinate Al (Al V) is positively correlated with the content of ternary compounds, indicating that the Al–O bonds in ternary compounds tend to be connected at the five-coordinated Al site, which is further demonstrated through annealing experiments of HfO 2 -Al 2 O 3 mixtures. Further, the impact of the above microscopic properties on the macroscopic performance, such as wettability and optical bandgap, has also been explored. Our insights into Al coordination resonances and ternary compounds in HfO 2 -Al 2 O 3 mixtures may help understand the structure–function relationship of mixture coatings. [Display omitted] • The content of ternary compounds in HfO 2 -Al 2 O 3 mixture coatings is affected by mixing ratio and annealing temperature. • Mixing leads to a sharp increase in the content of five-coordinated aluminum. • Changes in the content of five-coordinated aluminum affect the wettability of the coatings. [ABSTRACT FROM AUTHOR]

Silicon has become the most promising anode material for industrial application to replace the currently utilized graphite because of its large capacity and abundant reserves. However, its poor electronic conductivity and slow Li-ionic diffusion capability along with severe volume expansion impede its high-rate performace. To resolve these issues, we develop a ternary BiSbSi compound with a layered lattice, which presents significantly improved reaction kinetics of 300 mA h g−1 at 20 A g−1 enabled by faster electronic conduction and lithium ion diffusion and simultaneously reduce the volume variation, thus leading to longer cycling stability of remaining 561 mA h g−1 after 1000 cycles at 2 A g−1, compared with Si counterparts. Broadly the ternary layered Si-based anodes hold great promises to be applied in the near future.

This paper presents the results of our comprehensive study of phase equilibria in the Al–Fe–Mo system using DTA, X-ray diffraction, SEM and electron probe microanalysis. The liquidus and solidus projections were constructed. It is shown that the ternary compound Al 8 FeMo 3 (τ) melts congruently at >1500 °C and has a homogeneity range from 2 to 9 at.% Fe and from 23.5 to 25 at.% Mo. Isostructural phases (Mo), (αFe) and AlMo (W-type structure, cI 2 -Im- 3 m) at solidus temperatures form a continuous solid solution (αFe,Mo,AlMo). Unlike the AlMo binary phase, which is not retained by quenching, the ternary (αFe,Mo,AlMo) phase is easily quenched due to its lower decomposition temperature. Among the binary based phases, the Al 8 Fe 5 (ε) phase has the widest homogeneity region, which extends up to 24 at.% Mo at solidus temperatures. It is shown that the addition of Mo stabilizes the Al 8 Fe 5 (ε) phase, and the temperature of its formation in the ternary system increases to 1331 °C in contrast to 1234 °C in the binary. Moreover, according to XRD data, the Al 8 Fe 5 (ε) phase in the ternary system has a rhombohedral structure of the Al 8 Cr 5 -type (hR 78- R -3m), rather than cubic Cu 5 Zn 8 -type structure (cI 52- I -43 m), like the binary one. A new binary compound Al 45 Mo 7 was identified for the first time. Its crystal structure is established as monoclinic Al 45 V 7 -type (mS 104- C 2/ m) with the lattice parameters a = 20.534, b = 7.561, c = 10.910 Å, β = 107.33. It was shown to form by peritectic reaction L + Al 5 Mo ⇄ Al 45 Mo 7 at ∼800 °C. Iron additions stabilize the Al 4 Mo phase, which in the binary system is stable above 942 °C. [Display omitted] • Phase relations in the ternary Al–Fe–Mo systems over the whole concentration range were studied. • A new binary compound Al 45 Mo 7 with a monoclinic Al 45 V 7 -type structure was found. • It is shown that the ternary compound Al 8 FeMo 3 (τ) melts congruently at >1500 °C. • A continuous solid solution (αFe,Mo,AlMo) (W-type structure) was found at solidus temperatures. • Fifteen four-phase invariant reactions are found,one is of peritectic type and fourteen ones are of U-type. [ABSTRACT FROM AUTHOR]

We study phase equilibria in a section of 7.14 at.% La in the La–Cu–Si ternary system at 870°K by the methods of X-ray phase diffraction and structural analysis. The existence of two new LaCu9.61Si3.39 and LaCu8.37Si4.63 ternary compounds is established and their crystal structures are studied by the X-ray powder diffraction method. Both compounds are the first representatives of the NaZn13 structural type and its CeNi8.5Si4.5 tetragonally deformed superstructure in the R–Cu–Si systems. We also analyze structural transformations based on the NaZn13 structural type, as well as the affinity of the investigated compounds with the structures of binary and ternary lanthanum and copper silicides with respect to the closest coordination surrounding of the least electronegative atoms. Finally, we illustrate structural relationships between the investigated compounds and simple crystal structures (of copper and silicon) with which they are in phase equilibria in the La–Cu–Si system. [ABSTRACT FROM AUTHOR]

Abstract Germanium is considered as a potential anode material for sodium-ion batteries due to its fascinating theoretical specific capacity. However, its poor cyclability resulted from the sluggish kinetics and large volume change during repeated charge/discharge poses major threats for its further development. One solution is using its ternary compound as an alternative to improve the cycling stability. Here, high-purity CuGeO3 nanowires were prepared via a facile hydrothermal method, and their sodium storage performances were firstly explored. The as-obtained CuGeO3 delivered an initial charge capacity of 306.7 mAh g−1 along with favorable cycling performance, displaying great promise as a potential anode material for sodium ion batteries.

Summary: We report fabrication of solar cell device with Copper Zinc Sulfide (CZS) thin films as absorber layer. CZS thin films prepared using chemical spray pyrolysis technique at a pressure of 10−3 mbar at different substrate temperatures. Structural, morphological, optical, compositional and electrical properties of as prepared films are investigated. Structural analysis shows crystalline nature with mixed phase containing CuS‐ZnS binary composite. Atomic Force Microscopy analysis shows the average particle size of 88 nm. Value of work function obtained from ultraviolet photoelectron spectroscopy is 4.58 eV. The band gap of the as‐prepared films varies from 1.62 to 2.06 eV. Hall effect measurement proves the p‐type nature for all the deposited films. Samples deposited at 350°C shows carrier concentration of 1021 cm−3 and electrical conductivity of 526 S cm−1. Solar cell device structure of has been fabricated using the CZS sample deposited at 350°C. The cell parameters obtained are Voc = 0.505 V, Isc = 4.97 mA/cm2, FF = 64.28% and η = 1.6 ± 0.05%. [ABSTRACT FROM AUTHOR]

The isothermal section of the Gd-Ni-In system at T = 870 K was constructed by means of X-ray powder diffraction and EDX analyses. Thirteen ternary compounds, namely GdNi9In2 (YNi9In2 type), Gd1−1.22Ni4In1-0.78 (MgCu4Sn type), GdNiIn2 (MgCuAl2 type), Gd4Ni11In20 (U4Ni11Ga20 type), GdNi1.0-0.7In1.0-1.3 (ZrNiAl type), Gd2Ni2In (Mn2AlB2 type), Gd2Ni1.78In (Mo2FeB2 type), Gd11Ni4In9 (Nd11Pd4In9 type), Gd12Ni6In (Sm12Ni6In type), Gd6Ni2.39In0.61 (Ho6Co2Ga type), Gd14Ni3.29In2.71 (Lu14Co3In3 type), Gd3Ni0.05In0.95 (AuCu3 type) and ~Gd6Ni2In exist in the Gd-Ni-In system at this temperature. The substitution of Ni for In was observed for GdNi1.0-0.7In1.0-1.3 and of In for Gd for Gd1-1.22Ni4In1-0.78. Besides, Gd can enter the structure of NiIn (CoSn type) leading to a solid solution Gd0-0.14NiIn1-0.98. [ABSTRACT FROM AUTHOR]

Phase equilibria in the La-Fe-C system at crystallization were studied and the binary La-Fe system was reinvestigated using DTA, X-ray diffraction, SEM and electron probe microanalysis. Using the results, the binary La-Fe phase diagram has been redrawn and liquidus and solidus projections for the La-Fe-C system constructed, for the first time, covering the whole concentration range. There is no stable miscibility gap in the liquid phase of La-Fe system, according on our results. The La-Fe system shows a simple eutectic at 88 at.% La. The eutectic temperature was measured to be 788 °C. No intermediate phases were found. In the ternary La-Fe-C system a ternary compound La 3.67 FeC 6 (τ) was found in equilibrium with the liquid phase and to coexist with most of the other phases in the system. Additions of carbon to La-Fe alloys caused liquid immiscibility. In this investigation, the liquid separation has been proved with clear microscopic pictures of samples showing this effect. A ternary stable liquid miscibility gap marked L 1 + L 2 develops from a metastable liquid miscibility gap in the La-Fe binary system. None of the binary intermetallic phases show any solubility of the third component. • The binary La-Fe phase diagram has been redrawn. • There is no stable miscibility gap in the liquid phase of La-Fe system. • Liquidus and solidus projections constructed for the La-Fe-C system. • A closed liquid miscibility has been established. • The ternary compound La 3.67 FeC 6 (τ) was found to solidify incongruently by peritectic reaction. [ABSTRACT FROM AUTHOR]

The melting diagram and reaction scheme (Scheil diagram) of the Al–Ti–Pt system have been constructed for the first time in the composition range 0–50 at.% Pt using the experimental results for as-cast alloys and alloys annealed at subsolidus temperatures. It is established that ternary compounds τ3, τ4, and τ8 form congruently with participation of the liquid phase and compounds τ1, τ2, τ5, τ6, τ7, τ9, and τ11 by peritectic reactions. All compounds take part in phase equilibria with participation of the liquid phase, forming 31 four-phase and 28 three-phase invariant equilibria at temperatures from 1410 to 660°C. [ABSTRACT FROM AUTHOR]

The nature of phase equilibria has been examined for the first time in the Al–Ti–Pt system in the range 0–50 at.% Pt at subsolidus temperatures. Besides the τ1, τ2, and τ3 ternary compounds with AuCu3, Th6Mn23+1, and MgZn2 lattices known from the literature, eight more compounds form in the system at subsolidus temperatures. The structural type is known for three of these compounds. They are τ4 (ZrBeSi), τ5 (CrFe), and τ6 (defective structure of Au4Al type). There are 31 isothermal planes on the solidus surface. All planes are formed with participation of ternary compounds and solid solutions based on binary compounds present in the boundary systems. The highest temperature in this composition range corresponds to the congruent melting of the TiPt phase (1830°C) and the lowest to eutectic l ⇄ + in the binary Al–Pt system (655°C). [ABSTRACT FROM AUTHOR]

Phase equilibria upon crystallization in the Zr-Co-Sn system were experimentally studied by a combination of scanning electron microscopy (SEM), electron probe microanalysis (EPMA), X-ray diffraction (XRD), and differential thermal analysis (DTA). The liquidus projection, melting diagram (liquidus + solidus), vertical sections, Scheil reaction scheme, and isothermal sections at 1000 and 1200 °C covering the whole concentration range were constructed. Four ternary intermetallic phases ZrCo 2 Sn (τ 1), ZrCoSn (τ 2), Zr 6 Co 1.65 Sn 1.35 (τ 3) and Zr 5 Co 6 Sn 18 (τ 4) are confirmed. It is shown that ZrCo 2 Sn (τ 1) and ZrCoSn (τ 2) melt congruently at 1470 and 1340 °C, respectively, while Zr 6 Co 1.65 Sn 1.35 (τ 3) and Zr 5 Co 6 Sn 18 (τ 4) form by peritectic reactions L + Zr 5 Sn 3+x ⇄ τ 3 and L + τ 1 + τ 2 ⇄ τ 3 at 1270 and 1130 °C, respectively. The binary phases Zr 5 Sn 3+x and ZrCo 2 (Laves phase) have extended homogeneity ranges in the ternary system. A total of twenty-four four-phase invariant reactions are established: one peritectic, six eutectic, one eutectoid and sixteen U-type. [Display omitted] • Phase relations in the ternary Zr-Co-Sn systems over the whole concentration range were studied. • Liquidus surface, isothermal and vertical sections and a Scheil diagram were constructed. • Four ternary intermetallic phases ZrCo 2 Sn, ZrCoSn, Zr 6 Co 1.65 Sn 1.35 and Zr 5 Co 6 Sn 18 are formed. • Twenty-four four-phase invariant reactions are established. [ABSTRACT FROM AUTHOR]

Abstract 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 τ 1 , τ 2 and τ 3. The three ternary compounds (τ 1 -τ 3 ) were found at 600 °C. The ternary phase τ 1 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, τ 1 , was identified at 800 °C. The τ 1 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 LaSi 2-α2 is 39.9 at.% and 41.3 at.% at 600 and 800 °C, respectively. The solubility of Si in Al 2 La at both 600 and 800 °C is extremely small. Highlights • Phase equilibria of the Al-Si-La system between 0 and 50 at.% La at 600 and 800 °C were determined. • Three ternary compounds (τ 1 , τ 2 and τ 3 ) were confirmed at 600 °C, only the τ 1 phase exists at 800 °C. • The solubility of Al in LaSi 2-α2 and LaSi increases with the enhanced temperature. [ABSTRACT FROM AUTHOR]

Al 3 Ti-based alloys attract exceptional attention due to their high specific mechanical properties. However, their application is still insufficient due to their low ductility and fracture toughness. Several approaches were previously proposed to address these problems. The first one is stabilization of the cubic modification of titanium trialuminide by alloying. Another approach consists in fabricating metal-intermetallic laminated composites (MIL). In this study, we combined both methods to synthesize the first MIL composite with cubic Al 3 Ti interlayers. Copper additions were used to stabilize the cubic modification of Al 3 Ti and produce a novel Ti-Al 5 CuTi 2 MIL composite. First mechanical characterization by indentation tests showed that the binary Al 3 Ti intermetallic tended to crack at a load of 0.2 kg while the fracture was not observed in the Al 5 CuTi 2 layers at least at a load of 1 kg. These results are an indirect evidence of a higher ductility and fracture toughness of the composite with cubic Al 3 Ti compared to tetragonal one. The sequence of the phase transformations in the Al-Ti-Cu system was studied using in situ synchrotron X-ray radiation diffraction. The formation of Al 5 CuTi 2 occurred via several intermediate stages including eutectic melting of Al and Cu and the formation of binary AlCu and Al 3 Ti compounds. [ABSTRACT FROM AUTHOR]

A series of physicochemical analysis techniques are employed to study the phase equilibria in the aluminum corner of the Al-Ti-Pt system at subsolidus temperatures and in the alloy crystallization process. It has been established for the first time that a ternary τ1 phase (AuCu3 structural type) forms by peritectic reaction L + + ⇄ τ1 at 1405°C. On the solidus surface in the studied composition range at 1405, 1310, 1275, 1060, 925, 820, and 660°C, there are seven isothermal planes that participate in invariant four-phase equilibria involving the liquid phase, three of them being peritectic and the others transitional. [ABSTRACT FROM AUTHOR]

To elucidate magnetism and electronic states of X2Co12P7 with X = Ti, Zr and Hf, which are expected to be in a tetravalent state or a trivalent state with one d-electron, we measured magnetizations of polycrystalline samples of X2Co12P7 and compared their magnetic behaviors with that of itinerant ferromagnets Ln2Co12P7 (Ln = lanthanoids), the Curie temperature TC of which is approximately 150 K. As results of magnetization measurements, we found these compounds to show itinerant ferromagnetism with TC = 67, 149 and 133 K for X = Ti, Zr and Hf, respectively. This behavior is in contrast to the case of Ln2Co12P7 in which TC is almost independent of Ln. The lower TC for the case of X = Ti compared with Ln2Co12P7 suggests that the valence of Ti in this compound is +4 rather than +3 and ferromagnetism derived from Co is weakened due to the electron doping from Ti. On the other hand, in the case of X = Zr and Hf compounds, both TC have similar values to that for Ln2Co12P7, indicating that X are almost in the trivalent state. From the result of magnetization measurements, it is clear that there is no localized magnetic moment in these compounds. Therefore, d-electrons in trivalent Zr or Hf show itinerant nature in X2Co12P7. [ABSTRACT FROM AUTHOR]

Phase equilibria in the Fe-Ce-C system at 1100 °C were studied using X-ray diffraction, SEM and electron probe microanalysis. An isothermal section at this temperature was constructed covering the whole concentration range. The stability of the ternary compound τ 1 at 1100 °C, identified previously, was confirmed and its composition determined as 23Fe-29Ce-48C according our data. It is also confirmed that the ternary compound τ 1 does not have a homogeneity range. The liquid phase is stable at 1100 °C in the Fe-Ce-C system. The isothermal section is characterized by five three-phase regions: (γFe) + (C) + (αCeC 2 ), (γFe) + τ 1 + (αCeC 2 ), (γFe) + τ 1 + (Ce 2 C 3 ), (αCeC 2 ) + τ 1 + (Ce 2 C 3 ) and L + (γFe) + (Ce 2 C 3 ) plus the corresponding two-phase regions. [ABSTRACT FROM AUTHOR]

This study explores the use of Secondary Ion Mass Spectrometry (SIMS) to accurately measure the content of Pb 1 − x Sn x Te , a new class of electronic materials known as Topological Crystalline Insulators (TCIs). We analyzed the SIMS signal ratios of SnCs + / PbCs + and Sn ± / Pb ± in thin layers and determined the calibration curves necessary to estimate the exact amount of content in this ternary compound. Additionally, we investigated the matrix effect and performed depth profiling to obtain a more precise determination of the content. These findings contribute to the understanding and development of TCIs, and highlight the potential of SIMS for accurate content determination in ternary compounds. • Calibration curve for Secondary Ion Mass Spectrometry were developed for ternary compounds of Pb 1 − x Sn x Te. • The comparison of matrix effect between positive and negative secondary ions. • Cs cluster method gives the most proper results for determining the matrix composition. [ABSTRACT FROM AUTHOR]

The methods of X-ray phase diffraction and structural diffraction analyses and, partially, the method of microstructural analysis are used to study the phase equilibria in the ternary Tm-Cu-Si system and plot the isothermal section of the phase diagram of this system at 870°K. The existence of seven ternary compounds at this temperature, namely, TmCuSi , TmCuSi , TmCuSi, TmCuSi, TmCuSi , TmCuSi, and TmCuSi is established. It is shown that solely the TmCu binary compound dissolves 5 at.% Si. At the same time, we did not detect any noticeable solubility of the third component in the other binary compounds. The structural parameters are determined for the following ternary compounds: TmCuSi (ST ScNiSi , SG P6 / mmc , PS hP36, a = 8.3898(6), c = 8.6425(7) Å, R = 0.0606, R = 0.0442, R = 0,0351, R = 0.0570, and χ = 1.74), TmCuSi (ZrBeSi, P6 / mmc , hP36, a = 4.1399(3), c = 7.1471(7) Å, R =0.0493, R = 0.0449, R = 0.0698, R = 0.0930, and χ = 1.98), and TmCuSi (AlB , P6/ mmm , hP3, a = 3.9799(3), c = 3.9197(4) Å, R = 0.0543, R = 0.0293, and χ = 1.01). The specific features of the Tm-Cu-Si system and its relationship with the previously studied R-Cu-Si systems are analyzed. [ABSTRACT FROM AUTHOR]

The isothermal section at 600 °C of the La-Zn-Si system was established by using equilibrated alloys and the diffusion couple technique. Microstructural observation and phase identification were performed using optical microscopy, scanning electron microscopy with energy dispersive x-ray spectroscopy and a wave dispersive x-ray spectrometer, and x-ray powder diffraction. Seven ternary compounds were identified in this ternary system, and temporally designated as τ , τ , τ , τ , τ , τ and τ . Two previously reported ternary compounds, viz. τ and τ , were found to exist at 600 °C. EDS analysis revealed that the τ phase contained Si from 2.4 to 6.1 at.% and La from 22.3 to 23.3 at.%. The compositional region of the τ single-phase ranged from 28.3 to 40.7 at.% for Si and from 31.5 to 33.1 at.% for La. Two new ternary phases, τ and τ , were identified. The τ phase with the CeNiSi-type was determined to have a composition range of 36.9-39.2 at.% Si for about 24 at.% La. The τ phase with the ThCrSi-type was found to have a composition range of 18.9-19.7 at.% La and 27.4-30.6 at.% Si. The crystal structures of τ , τ , and τ were not determined. The solubility of Si in LaZn, LaZn, LaZn, LaZn, and LaZn was negligible, and that of Si in LaZn, LaZn and Zn in LaSi, LaSi was determined as 5.1, 2.3, 16.2 and 3.8 at.%, respectively. [ABSTRACT FROM AUTHOR]

Phase equilibria in the Al-Mn-C system at 1200 and 1100 °C were studied using DTA, X-ray diffraction, SEM and electron probe microanalysis. Using the results the isothermal sections at 1200 and 1100 °C for this system were constructed covering the whole concentration range. It was shown that the ternary compound Mn 3 AlC (κ-carbide) (antiperovskite structure CaTiO 3 -type, ≿Р 5 -Pm- 3 m ) is stable at these temperatures and has a wide homogeneity range. It co-exists with the majority of solid phases (γMn), εAlMn, Mn 5 C 2 , Mn 7 C 3 , C and Al 4 C 3 at 1200 °C, and at 1100 °C also with the phase εMn 4 С 1-х . In addition to the κ-carbide also (γMn), εAlMn, εMn 4 С 1-х and Mn 5 C 2 show appreciable homogeneity ranges. The Mn 5 C 2 carbide, which in the binary Mn-C system is stable below 1167 °C, participates in equilibria in the ternary system at 1200 and 1100 °C. The character of the phase equilibria at 1100 °C is practically similar to those at 1200 °C. The main difference involves the fact that the equilibrium (γMn) + Mn 5 C 2 which is present in the Al-Mn-C system at 1200 °C, is absent at 1100 °C. Instead, the alternative equilibrium κ + εMn 4 C 1-x is present at 1100 °C. [ABSTRACT FROM AUTHOR]

Semiconductor nanowires are versatile building blocks for optoelectronic devices, in part because nanowires offer an increased freedom in material design due to relaxed constraints on lattice matching during the epitaxial growth. This enables the growth of ternary alloy nanowires in which the bandgap is tunable over a large energy range, desirable for optoelectronic devices. However, little is known about the effects of doping in the ternary nanowire materials, a prerequisite for applications. Here we present a study of p-doping of InxGa1-xP nanowires and show that the growth dynamics are strongly affected when diethylzinc is used as a dopant precursor. Specifically, using in situ optical reflectometry and high-resolution transmission electron microscopy we show that the doping results in a smaller nanowire diameter, a more predominant zincblende crystal structure, a more Ga-rich composition, and an increased axial growth rate. We attribute these effects to changes in seed particle wetting angle and increased TMGa pyrolysis efficiency upon introducing diethylzinc. Lastly, we demonstrate degenerate p-doping levels in InxGa1-xP nanowires by the realization of an Esaki tunnel diode. Our findings provide insights into the growth dynamics of ternary alloy nanowires during doping, thus potentially enabling the realization of such nanowires with high compositional homogeneity and controlled doping for high-performance optoelectronics devices. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

Novel surface wettability of superamphiphilic or hydrophobicity-superlipophilic has been firstly realized on I-IV-VI p-type ternary Cu 3 SnS 4 (CTS) thin films, which were deposited on glass substrates by simple spin-coating method using nontoxic chemicals. The surface wettability varied with the annealing temperature, and showed superamphiphilic with contact angle of <1° under 500 °C treatment. Being modified with stearic acid, the surface turned hydrophobicity (contact angle of 109±2°) but superlipophilicity (contact angle of <1°), which means a change of surface wettability, and the surface can recover to its initial superamphiphilic state once remove the modification. The surface wettability could be mainly ascribed to character of material and surface microstructure. Such surface wettability of CTS is promising in designing new technologies to novel applications in moisture or in dusty environment, and can also be expected in assisting water-oil separation in future researches. [ABSTRACT FROM AUTHOR]

Photocatalysis has attracted much attention in the field of environmental remediation. However, the photocatalytic performance largely depends on efficient charge migration and solar light utilization. Herein, the ternary MoSe 2 /ZnO/p-BN (MZB) photocatalyst was successfully designed and synthesized. The degradation rate of the optimal sample 30 wt% MZB for ofloxacin (OFL) under visible light irradiation can reach 99.2%, and the photocatalytic reaction rate is 5.33 times and 2.10 times higher than that of pure ZnO and ZnO/p-BN. In the MoSe 2 /ZnO/p-BN system, p-BN can achieve the enrichment of pollutant to accelerate the catalytic rate, while the hybridization of MoSe 2 expands the spectral response of the catalysts. In addition, the formation of stepped electron transport routes reduces the electron-hole pair recombination rate. The active species quenching experiments reveal that e-, •O 2 −, h+ and •OH play a major role in the removal of antibiotic contaminants. The analysis of OFL degradation intermediates reveals the possible degradation pathways and proposes a reasonable photocatalyst mechanism. Therefore, this work provides new ideas for designing high-performance visible light responsive photocatalysts for pollution treatment. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • A novel family of ternary AlSi x P (x = 2/3, 2, 6) were synthesized for the first time. • Electronic structures and Li-ionic transportation properties are analyzed. • The AlSi 6 P has the fastest electronic conductivity and Li-ion diffusion. • The AlSi 6 P shows the best Li-storage performances. The slow electron and Li-ion transport as well as poor ability to resist against volume variation restrict severely the Si anodes commercialization. Herein, we, for the first time propose a three-in-one approach by co-introducing Al and P into Si to form the complete solid solutions of AlSi x P (x = 2/3, 2, 6) by a facile and low-cost mechanical ball milling method. As LIBs anodes, first-principles calculations and experimental measurements demonstrate that the AlSi 6 P sample has the fastest Li-ionic and electronic conductivities among materials of AlSi 2/3 P, AlSi 2 P, AlSi 6 P and Si 8 , thus offering the best Li-storage performances of large reversible capacity, high energy efficiency, long cycling life and fast rate capability. The crystallographic, spectrographic and electrochemical characterizations demonstrate that the AlSi 6 P sample stores Li-ions by a reversible process of Li-intercalation reaction and then conversion reaction where a Li-ionic conductor of LiSi 2 P 3 , and electronic conductors of Li 12 Al 3 Si 4 and Li 15 Si 4 were produced simultaneously, thus delivering excellent Li-storage performances. The AlSi 6 P@graphite composite achieves 1,496 mA h g−1 after 100 cycles at 500 mA g−1, 1,058 mA h g−1 after 500 cycles, and 1,159 mA h g−1 at 10,000 mA g−1, thus holding the promise to be applied in the near future. This co-doping strategy provides guidance and a new direction for the design of new energy materials. [ABSTRACT FROM AUTHOR]

Phase equilibria were studied in the system Ni-Sn-Bi. Special attention has been paid to the identification of the recently found ternary phase. For this purpose samples were synthesized using intimately mixed powders. After annealing and quenching, all alloys were analyzed by scanning electron microscope and by X-ray diffraction. The results give evidences about the existence of a ternary compound with approximate formula Ni6Sn2Bi to Ni7Sn2Bi. Overlapping of some neighboring diffraction peaks of this phase with NiBi and Ni3Sn_LT is the reason for the difficulties related to the X-ray diffraction identification of the ternary phase.

In this article, a novel anode material with high electrochemical performance, made of elements abundant on the Earth, is reported for use in lithium ion batteries. A chemically synthesised material (SiO 2 /ZrO 2 ) containing Si-O-Zr bonds, exhibits as much as 2.1 times better electrochemical performance at the 10th cycle than a physically mixed material (SiO 2 + ZrO 2 ) of the same elements. When compared to synthesized SiO 2 or conventional graphite-based electrodes, the SiO 2 /ZrO 2 anode shows superior capability and cycling performance. This superior performance is ascribed to the effect of ternary compounds, which contributes not only to increasing the packing density, but also to creating the Si-O-Zr bond that makes additional reactions between SiO 2 /ZrO 2 and lithium ions possible. The Si-O-Zr bond also contributes to improved conductivity for SSZ and provides facile paths for charge transfer at the electrode/electrolyte interface. Therefore, the overall internal resistance in a battery would be decreased and better performance could thus be obtained, with this type of anode. In every result, the positive influence of the Si-O-Zr bonds in the anode of a lithium ion battery was confirmed. [ABSTRACT FROM AUTHOR]

We synthesized polycrystalline samples of ternary compounds Ln2Co12P7 (Ln = Y, Pr, Nd, Sm, Gd and Dy) with the Curie temperature being about 150 K and measured magnetization to clarify magnetism of Co sublattice and also to clarify behavior of magnetic moments of Ln3+ in ferromagnetic phase. As a result, magnetism of Y2Co12P7 was found to be a possible weakly itinerant electronic ferromagnetism and found to be similar to that of Lu2Co12P7, indicating that magnetism of Co sublattice does not change with Ln. From results for Ln2Co12P7, we found that spin components of magnetic moments of Ln3+ ferromagnetically couple with exchange field of ferromagnetic moments of Co sublattice. This result means that behavior of magnetic moments of Ln3+ can be described as the single ion model applied to the permanent magnets (LnCo5, Ln2Fe14B etc.) though the sign of coupling constant is opposite of the cases of permanent magnets. This is because magnetic moments of Co and Ln couple through P, not a direct coupling in cases of permanent magnets. [ABSTRACT FROM AUTHOR]

The crystal structures of two new compounds were determined from single-crystal X-ray diffraction measurements: Ni 3+ x Sn 4 Zn, ( x ~1.35, a =7.110(2) Å, b =4.123(1) Å, c =10.346(3) Å, β=90.23(2)°, space group I 2/ m , Z=2. R 1=0.025, wR 2=0.059 for 748 unique reflections, 35 variable parameters) and Ni 6+ x Sn 8 Zn, x ~1.35 ( a =12.379(3) Å, b =4.095(1) Å, c =12.155(3) Å, β =116.25(3)°, space group C 2/ m , Z =2. R 1=0.026, wR 2=0.052 for 1346 unique reflections, 60 variable parameters). In addition, a structural refinement was performed for Ni 3+ x Sn 4 , x ~0.13 ( a =12.264(3) Å, b =4.066(1) Å, c =5.223(2) Å, β =104.85(3)°, space group C 2/ m , Z =2. R 1=0.019, wR 2=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 Ni 3+ x Sn 4 , x ~0.13. They contain “Ni 4 Sn 4 ” and “Ni 2 Sn 4 ” building blocks which by different interconnection build up the distinct structures. Topological relations with NiSn and Ni 5− δ Sn 4 Zn, δ ~0.25 are evident. [ABSTRACT FROM AUTHOR]

V18P9C2 crystallizes in the orthorhombic space group Pmma with the lattice parameters a = 17.044(3), b = 3.2219(7), and c = 13.030(2) Å, Z = 2. The crystal structure is composed of 19 symmetry-independent atoms. The crystal structure is considered as a network formed by the transition metal atoms exhibiting cubic, trigonal prismatic, and octahedral voids centered by V, P, and C atoms, respectively. Vice versa, the V and P atoms form a three-dimensional network. The two CV6 octahedra are edge- and corner-connected to chains running parallel to [010]. The five unique P atoms are trigonal prismatically coordinated by V atoms with one to three faces capped again by a V atom. The V atoms have mainly cubic environments formed solely by V or by V and P atoms. V18P9C2 exhibits some structural relations to other compounds of the ternary system V-P-C as well as to other intermetallic phases. Despite the low carbon content, V18P9C2 is considered as a ternary compound rather than an interstitially stabilized (binary) phosphide in view of its special structural features. [ABSTRACT FROM AUTHOR]

Phase equilibria in the Fe–Mn–Ce system at 900 °C were studied using DTA, X-ray diffraction, SEM and electron probe microanalysis. Using the results an isothermal section at 900 °C for this system was constructed covering the whole concentration range. The stability of the ternary compounds Fe 11 Mn 6 Ce 2 (τ 1 ) and Fe 5 Mn 7 Ce (τ 2 ) at 900 °C, identified previously, was confirmed. The ternary compound τ 1 is located along a line with a constant Ce concentration of 9.6 at.% and its homogeneity range extends from 20 up to 34 at.% Mn at 900 °C. The ternary compound τ 2 is located along a line with a constant Ce concentration of 8 at.%. Its homogeneity range extends from 35 up to ∼70 at.% Mn at 900 °C. The phases βFe 17 Ce 2 and Fe 2 Ce, both of which dissolve appreciable quantities of Mn, are located along lines with constant concentrations of Ce of 10.8 and 33 at.%, respectively. The solubilities of Mn in βFe 17 Ce 2 and Fe 2 Ce were established to be 18 and ∼28 at.%, respectively. At 900 °C the liquid phase is stable in the Fe–Mn–Ce system. The isothermal section is characterized by eight three-phase regions: (αFe) + (γFe,Mn) + (βFe 17 Ce 2 ), (γFe,Mn) + (Fe 2 Ce) + (βFe 17 Ce 2 ), (γFe,Mn) + (Fe 2 Ce) + τ 1 , (γFe,Mn) + τ 1 + τ 2 , τ 1 + τ 2 + (Fe 2 Ce), (γFe,Mn) + (βMn) + τ 2 , L + (βMn) + τ 2 and L + τ 2 + (Fe 2 Ce) plus the corresponding two-phase regions. [ABSTRACT FROM AUTHOR]

The system cobalt ferrite (CFO)–titania (TO) has been studied in view to produce new in situ ceramic composites by conventional solid state reaction. To synthesize the CFO–TO composite, the processing parameters are optimized to yield a reliable and repeatable homogeneous distribution of the phases. Composition, crystalline structure and microstructure of the sintered bodies were investigated by XRD, SEM, microprobe analysis; the image analysis was performed to quantify the phase volume content and grain size. The final compositions after sintering differ significantly from the starting ones as a consequence of the reaction of titania with the ferrite and the formation of a new ternary compound Fe 2 CoTi 3 O 10 (FCTO). In this work we report for the first time the preparation of almost pure (about 95 vol%) single phase FCTO ceramics, its XRD patterns, and the microstructural characterization. Highly densified and homogeneous composites were obtained with two to three phases combined. Four different phase distributions are shown, depending on the starting cobalt ferrite content. [ABSTRACT FROM AUTHOR]

The solid-state phase equilibria in the Fe–Pd–Pr ternary system at 773 K were investigated by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), differential scanning calorimetry (DSC) and energy dispersion spectroscopy (EDS) techniques. It is found that the 773 K isothermal section consists of 14 single-phase regions, 26 two-phase regions, 13 three-phase regions. At 773 K, it is observed that the highest solubility of Pr in FePd and FePd 3 are 1.4 and 1.3 at.% Pr, respectively. The solid solubility of Fe in Pd 5 Pr, Pd 3 Pr, Pd 2 Pr, Pd 3 Pr 2 , Pd 4 Pr 3 , PdPr, Pd 3 Pr 7 , and that of Pd in Fe 17 Pr 2 are very little and less than 1 at.%. In this work, at 773 K, the homogeneity ranges of phases FePd and FePd 3 in the Fe–Pd binary system have been determined to be 49.6–61.1 at.% Pd for FePd and 62.54–80.55 at.% Pd for FePd 3 , respectively. A new ternary compound Pr 6 Fe 13 Pd with space group I 4/ mcm , a = 0.80900 (7) and c = 2.24401 (4) nm was discovered. [ABSTRACT FROM AUTHOR]

A new ternary compound, Mg15 - xZnxSr3 with extensive solid solubility in the Mg-Zn-Sr system was observed and studied using electron probe microanalysis (EPMA), scanning electron microscopy SEM, and X-ray techniques. The solid solubility limits of this compound were found to be Mg15 - xZnxSr3 (0.24 ≤ x ≤ 10.58, at.%) at 300 °C using a diffusion couple and several equilibrated alloys. Analysis of the X-ray diffraction (XRD) patterns was carried out by Rietveld method. XRD data has shown that this solid solution crystallizes in the hexagonal P63/mmc (194) space group with the Ni11Si4Sc3 prototype. The lattice parameters decrease linearly with decreasing Mg content indicating substitutional solid solubility. The fractional atomic occupancy of the 6h, 6g, 4f, 2b and 12k sites of this compound are function of Mg content. [ABSTRACT FROM AUTHOR]

The photocurrent (PC) of hot-wall-epitaxy-grown BaInS layers was studied at different temperatures and for different photoresponse intensities. With increasing temperature, the position of the PC spectra tended to shift toward longer wavelength. These PC peaks corresponded to band-to-band transitions caused by intrinsic transitions from the valence band states to the conduction band states. Also, the bandgap variations were well matched by the equation E( T) = E(0) − 3.79 × 10 T/( T + 499), where E(0) was estimated to be 3.0597 eV, 3.2301 eV, and 3.2606 eV for transitions corresponding to the valence band states Γ(z), Γ(x), and Γ(y), respectively. By use of the selection rule and results from the PC spectroscopy, the crystal field and the spin-orbit splitting were found to be 0.1703 and 0.0306 eV, respectively. Thus, the PC intensity gradually decreased with decreasing temperature. The decrease of PC intensity was caused by the presence of trapping centers associated with native defects in the BaInS layers. The trap level was found to be a shallow donor-level type of 20.4 meV, 1.6 meV below the conduction band. Consequently, these trap levels, which are related to native defects in BaInS layers, are believed to limit PC intensity with decreasing temperature. [ABSTRACT FROM AUTHOR]

In this paper, we have explored the potential of Cu–Al–S compounds as p-type transparent conducting material by means of atomistic simulation using CuAlS 2 as a reference ternary compound and atomic layer deposition (ALD) growth. We have identified key intrinsic point defects acting either as shallow acceptor or deep donor which define the conductivity of CuAlS 2 . Higher p-type conductivity was found to be achievable under metal-poor and chalcogen-rich growth conditions. According to this precept, ALD growth of Cu x Al y S z was attempted using Cu(acac) 2 and Al(CH 3 ) 3 as precursors for Cu and Al respectively and under H 2 S atmosphere. While as grown thin films present low content of Al, it influences the band gap values as well as the obtained structures. [ABSTRACT FROM AUTHOR]