Space Group Immm Research Articles

U13Pd47Ge25: A first uranium member of the quasicrystalline approximant YCd6 family, with spin-glass behaviour

A novel ternary phase has been identified in the U-Pd-Ge ternary system with composition U13Pd47Ge25. Single crystal and powder X-ray diffractions indicate a cubic structure (space-group Im3¯, no. 204) with Ca13Au50Ge22-type, a derivative version of the YCd6 one. As expected in this structure-type, transmission electron microscopy evidenced a pseudo-5-axis along the [1¯τ0] zone axis, defining this compound as a Tsai-type quasicrystalline approximant. dc- and ac-magnetization, specific heat and electrical resistivity measurements highlight a spin-glass behavior for this uranium germanide, as well as a significant influence of the crystallographic disorder.

Topological and Morphological Membrane Dynamics in Giant Lipid Vesicles Driven by Monoolein Cubosomes

Lipid nanoparticles have important applications as biomedical delivery platforms and broader engineering biology applications in artificial cell technologies. These emerging technologies often require changes in the shape and topology of biological or biomimetic membranes. Here we show that topologically‐active lyotropic liquid crystal nanoparticles (LCNPs) can trigger such transformations in the membranes of giant unilamellar vesicles (GUVs). Monoolein (MO) LCNPs, cubosomes with an internal nanostructure of space group Im3m incorporate into 1,2‐dioleoyl‐sn‐glycero‐3‐phosphocholine (DOPC) GUVs creating excess membrane area with stored curvature stress. Using time‐resolved fluorescence confocal and lattice light sheet microscopy, we observe and characterise various life‐like dynamic events in these GUVs, including growth, division, tubulation, membrane budding and fusion. Our results shed new light on the interactions of LCNPs with bilayer lipid membranes, providing insights relevant to how these nanoparticles might interact with cellular membranes during drug delivery and highlighting their potential as minimal triggers of topological transitions in artificial cells.

Topological and Morphological Membrane Dynamics in Giant Lipid Vesicles Driven by Monoolein Cubosomes.

Lipid nanoparticles have important applications as biomedical delivery platforms and broader engineering biology applications in artificial cell technologies. These emerging technologies often require changes in the shape and topology of biological or biomimetic membranes. Here we show that topologically-active lyotropic liquid crystal nanoparticles (LCNPs) can trigger such transformations in the membranes of giant unilamellar vesicles (GUVs). Monoolein (MO) LCNPs, cubosomes with an internal nanostructure of space group Im3m incorporate into 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) GUVs creating excess membrane area with stored curvature stress. Using time-resolved fluorescence confocal and lattice light sheet microscopy, we observe and characterise various life-like dynamic events in these GUVs, including growth, division, tubulation, membrane budding and fusion. Our results shed new light on the interactions of LCNPs with bilayer lipid membranes, providing insights relevant to how these nanoparticles might interact with cellular membranes during drug delivery and highlighting their potential as minimal triggers of topological transitions in artificial cells.

La3+ doped CaCu3Ti4O12 ceramics: Investigation of its microstructural and dielectric properties against varying sintering durations

This article reports the relationship between microstructure and dielectric properties of the title material were prepared through combination of solid-state and sol–gel methods and then sintered by varying durations. XRD indicates Im-3 space group with a body centred cubic structure, and Rietveld refinement analysis showed good fits for all samples, with R-factors below 10 % and GoF less than 2. The XPS analysis revealed the existence of Ca 2p, La 3d, Cu 2p, Ti 2p, O 1s, and C 1s retained their correct oxidation states. SEM results show grain sizes of 1.10 (±0.25) μm, 1.24 (±0.10) μm, and 1.75 (±0.31) μm for 8, 12, and 16 h of sintering, respectively. EDS analysis confirms the presence of Ca, Cu, Ti, La, and O, indicating the purity of the ceramics. As the sintering duration increases, grain enlargement consistently leads to higher εr values with very low tanδ. At a low frequency of 50 Hz, εr increases with sintering duration, reaching values of 5.65 × 103, 5.90 × 103 and 9.94 × 103. Meanwhile, tanδ remains significantly low (<0.1) at 1 kHz. The Nyquist plots demonstrate deviation from Debye type relaxation with NTCR behaviour. The frequency-dependent AC conductivity follows Jonscher’s power law, with activation energy values of 0.44 eV, 0.46 eV, and 0.49 eV for ceramics sintered for 8, 12, and 16 h, respectively.

Kenorozhdestvenskayaite-(Fe), Ag6(Ag4Fe2)Sb4S12☐: A new tetrahedrite group mineral containing a natural [Ag6]4+ cluster and its relationship to the synthetic ternary phosphide (Ag6M4P12)M6′

Abstract [Ag6]4+ clusters are extremely rare in nature (only found in Ag-rich tetrahedrite group minerals). Due to their remarkable structures and some promising applications, a few synthesis phases that contain octahedral [Ag6]4+ clusters have been reported. However, the kinds of natural conditions that promote the formation of subvalent hexasilver clusters in tetrahedrite group minerals are still unclear. Kenorozhdestvenskayaite-(Fe), ideally Ag6(Ag4Fe2)Sb4S12☐ is a new tetrahedrite group mineral containing a natural [Ag6]4+ cluster, found in the Yindongpo gold deposit, Weishancheng ore field, Henan Province, China. This new species occurs at the edges of galena crystals as anhedral grains of 2 to 20 μm in size and is associated with pyrargyrite, pyrrhotite, and siderite. Kenorozhdestvenskayaite-(Fe) is black in color with metallic luster. It is brittle with conchoidal fracture and has a calculated density of 5.329 g/cm3. The empirical formula calculated on the basis of cation = 16 apfu is M(2)Ag6M(1)(Ag2.41Cu1.20Fe1.84Zn0.71)Σ6.16X(3)(Sb3.82As0.01)Σ3.83S(1)S11.60S(2)☐. It is cubic, with space group I43m, a = 10.7119(6) Å, V = 1229.1(2) Å3, and Z = 2. Since kenorozhdestvenskayaite-(Fe) is a new tetrahedrite group mineral containing a natural [Ag6]4+ cluster, its structure is comparable to the synthetic ternary phosphide (Ag6M4P12)M6′. The presence of the unusual mineral assemblages, i.e., pyrrhotite and pyrargyrite, as well as the other keno-end-member tetrahedrites, indicates a low-fS2 state for the mineralization stage, probably a result of the fluid boiling process in an open system that likely contributed to the formation of S-deficient tetrahedrites.

Novel compounds in the Sc-rich part of the systems Sc-{Co,Pd,Pt}-Ga: Structure and bonding

The present paper comprises a detailed structural analysis of two novel compounds in the Sc-Co-Ga system: τ3-Sc50Co13Ga3 (space group Fm-3; ε-Mg26-xAg7+x type), and τ4-Sc6Co1.73+x+yGa1-x (space group Immm; x=0.43; y=0.14; Ho6Co2Ga derivative type). Although alloys in the isothermal section are oxygen-free, the alloy of τ3, prepared for single crystal growth via partial melting in an alumina crucible, contained a minor amount of oxygen and can be considered as oxygen-stabilized Sc50Co13Ga3O1.1 (WDX-data). A search for homologous compounds in the systems Sc-{Pd,Pt}-Ga prompted the existence of two compounds Sc54{Pd,Pt,Ga}17, which from X-ray single crystal analyses proved both to be isotypic with the Hf54Os17-type structure (space group Immm). Whereas Sc54(Pd0.652Ga0.348)17 has a very limited homogeneity region at 850°C, Sc54(Pt1-xGax)17 exhibits at 850°C a large homogeneity region (0<x<0.28) extending from Ga-rich Sc76Pt17.2Ga6.8≡Sc54(Pt0.72Ga0.28)17 to novel binary Sc54Pt17. Interestingly, against the usual trend of solution hardening, hardness, Young's modulus and fracture toughness all decrease with increasing Ga-content: this effect is less pronounced for Sc54(Pd1-xGax)17 than for Sc54(Pt1-xGax)17 and is in line with DFT calculations indicating a weakening of bonding with increasing Ga content, thereby overcompensating the solution hardening effect. DFT modeling showed a common bonding feature for all the studied compounds – a strong electron localization inside the Sc6 octahedra, stacking of which leads to the formation of Mackay icosahedra in Sc54(Pd1-xGax)17, Sc54(Pt1-xGax)17, and Sc50Co13Ga3. The band structure of Sc6Co2.25Ga0.625 and Sc50Co13Ga3 indicates their metallic behavior, while Sc54(Pd1-xGax)17 and Sc54(Pt1-xGax)17 show distinct semimetal features. All investigated compounds in this work show similar trends in Bader charge distribution with a positively charged Sc-sublattice and a negatively charged sublattice formed by transition metals (Co, Pd, Pt) and Ga.

Ba3Mg4Au4 – a ternary auride composed of BaAu2- and BaMg2Au-related slabs

Abstract The ternary auride Ba3Mg4Au4 was synthesized from the elements in a sealed tantalum ampoule. The Ba3Mg4Au4 structure was refined from single-crystal X-ray diffractometer data: Gd3Cu4Ge4 type, space group Immm, a = 447.95(10), b = 843.07(18), c = 1564.2(5) pm, wR2 = 0.0935, 680 F 2 values, 23 variables. Ba3Mg4Au4 is a 1:2 intergrowth structure of BaAu2-(AlB2 type) and BaMg2Au-(MgCuAl2 type) related slabs. The two crystallographically independent gold atoms both have tricapped trigonal prismatic coordination, i.e. Au1@Mg6Ba3 and Au2@Mg2Ba6Au. The Au–Mg (284–303 pm) and Ba–Au (331–349 pm) distances cover small ranges that are close to the sums of the covalent radii. The magnesium atoms in the MgCuAl2-related slab show Mg–Mg distances of 320–332 pm. The different coloring variants of the Gd3Cu4Ge4 type are briefly discussed.

Exploring the physicochemical properties of a new mixed halide 1D hybrid material Zn(C2H8N2)Br1.41Cl0.59 with a non-centrosymmetric structure: Promising material for nonlinear applications

Colorless crystals of a new mixed halide hybrid material, Zn(C2H8N2)Br1.41Cl0.59, were synthesized by the slow evaporation method at room temperature. The crystal structure, thermal behavior, and optical analysis were analyzed to characterize this complex. The crystal structure study revealed that this compound adopts the orthorhombic system and crystallizes in the non-centrosymmetric space group Ima2. Its one-dimensional structure is built from infinite wavy chains of [Zn(C2H8N2)Br1.41Cl0.59]n propagating along the crystallographic a-axis, which are interconnected through NH···Br/Cl hydrogen bonds. Thermogravimetric analysis indicated that this complex remains stable up 251 °C, decomposing in a single step to yield zinc oxide (ZnO) as final product. Differential scanning calorimetry (DSC) revealed an endothermic peak at 195 °C, indicating that the title compound undergoes a phase transition at this temperature. Additionally, the material's suitability for optical application was assessed through UV–Visible absorption and non-linear optical (NLO) techniques. The determined band gap energy of 4.5 eV suggests that this new complex can be classified as a semiconductor material closely resembling an insulator. Furthermore, the second harmonic generation (SHG) efficiency of the grown crystal was analyzed using the Kurtz-Perry powder technique. The IR and Raman spectra confirm the results obtained from X-ray single-crystal structural analyses.

Investigating Fe-doped Ba0.67Ni0.33Mn1-xFexO3 (x = 0, 0.2) ceramics: insights into electrical and dielectric behaviors.

This study investigates the characteristics of the Ba0.67Ni0.33Mn1-xFexO3 perovskite compound, focusing on its structural and electrical aspects under varying Fe doping levels at the Mn-site (x = 0, 0.2). X-ray diffraction patterns confirm the material's consistent structure, with Fe3+ ions substituting Mn3+ ions while maintaining their identical ionic radius. Nano-crystallinity studies reveal single-phase crystallization in the orthorhombic structure with space group Imma. Samples are prepared through conventional solid-state sintering. The Williamson-Hall method calculates crystallite sizes, averaging 37 nm for x = 0 and 33 nm for x = 0.2. Electrical properties are examined using complex impedance spectroscopy at different temperatures and frequencies. Techniques such as energy dispersive X-ray spectroscopy (EDX) and scanning electron microscopy (SEM) assess chemical composition. Activation energy values increase from 0.138 eV for x = 0 to 0.171 eV for x = 0.2, leading to reduced dc conductivity across the investigated temperature range. Dielectric permittivity enhances proportionally with increasing Fe doping. Variations in impedance profiles reveal a relaxation phenomenon. A circuit model, Rg + (Rgb//CPEgb), elucidates impedance data. This study illuminates the interplay between Fe doping, activation energy, and electrical conductivity in Ba0.67Ni0.33Mn1-xFexO3 perovskite, offering insights applicable to electronic and energy-related devices. Perovskite-based nanomaterials have diverse environmental applications, including solar cells, light-emitting devices, transistors, sensors, and energy storage.

Synthesis and characterization of new doped dielectric materials based on CaCu3Ti4O12 (CCTO) applied at high temperature

In this study, we explored the impact of La3+/Nd3+ substitutions on the microstructure and dielectric characteristics of Ca0.9(La1-yNdy)0.066Cu3Ti4O12 ceramics (with varying y values: 0.25, 0.5, and 0.75). The X-ray diffraction (XRD) analysis confirmed that the synthesized samples exhibited a cubic perovskite structure (Im-3 space group) without any discernible impurities. Examination of the samples using scanning electron microscopy (SEM) unveiled that the introduction of small amounts of La3+/Nd3+ during sintering led to a reduction in the grain size of CCTO. Dielectric assessments demonstrated that all the solid-state samples containing dopants displayed remarkable dielectric permittivity (ε'>3 × 103) across a wide spectrum of frequencies up to 1 MHz and various temperatures (Δε'/ε′20< ±15 %). This study lays the groundwork for the development of novel dielectric materials based on CCTO, specifically suited for applications at temperatures exceeding room temperature. Furthermore, the ceramic doped with y = 0.5 also exhibited low dielectric loss, with a tanδ value of approximately 0.02 at 60 °C and 1 kHz.

The influence of extrinsic structural factors on the dielectric properties of CaCu3Ti3.90Cr0.10O12 ceramics

In this study, CaCu3Ti3.90Cr0.10O12 was produced via a solid-state reaction method. The phase formation and crystal structure analyses indicate a body-centered cubic structure with the space group Im3. There were no observed secondary phases. A microstructural study revealed that, with the sintering time fixed at 3 h, the average grain size increases as the sintering temperature was raised from 1090 °C to 1110 °C. Interestingly, the dielectric permittivity of CaCu3Ti3.90Cr0.10O12 ceramics increases from 3.53×104 to 8.04×104 as the sintering temperature was increased. In addition, the loss tangent of the CaCu3Ti3.90Cr0.10O12 ceramic decreases from 0.086 to 0.043. Impedance spectroscopy reveals the construction of an internal barrier layer capacitor structure in CaCu3Ti3.90Cr0.10O12 ceramics. The presence of Cu+ and Ti3+ in the CaCu3Ti3.90Cr0.10O12 system is shown by X-ray photoelectron spectroscopy, indicating a charge compensation mechanism produced by the oxygen vacancy within the CaCu3Ti3.90Cr0.10O12 ceramics. Interfacial polarisation may be the most significant contributor to the high dielectric permittivity of these ceramics.

A new polymorph of white phosphorus at ambient conditions

Phosphorus exists in several different allotropes: white, red, violet and black. For industrial and academic applications, white phosphorus is the most important. So far, three polymorphs of white phosphorus, all consisting of P4 tetrahedra, have been described. Among these, β-P4 crystallizes in the space group P 1 and γ-P4 in the space group C2/m. α-P4 forms soft plastic crystals with a proposed structure in the cubic space group I 43m with the lattice constant a = 18.51 (3) Å, consisting of 58 rotationally disordered tetrahedra and thus is similar to the structure of α-Mn. Here we present a new polymorph, δ-P4. It crystallizes as a sixfold twin with the cell dimensions a = 18.302 (2), b = 18.302 (2), c = 36.441 (3) Å in the space group P212121 with 29 P4 tetrahedra in the asymmetric unit. The arrangement resembles the structure of α-Mn, but δ-P4 differs from α-P4. DFT calculations show δ-P4 to be metastable at a similar energy level to that of γ-P4.

High-pressure synthesis and magnetic properties of a Fe/Ru disordered quadruple perovskite CaCu3Fe2Ru2O12

A new quadruple perovskite oxide CaCu3Fe2Ru2O12 was synthesized at 10 GPa and 1400 K. The compound crystallizes into an AA′3B4O12-type perovskite structure with space group Im3¯, where the Ca and Cu ions are 1: 3 ordered at A sites, whereas Fe and Ru ions are disordered at B sites. X-ray photoelectron spectroscopy measurement reveals the charge state formation of CaCu2+3Fe3+2Ru5+2O12. Magnetic measurement shows that ferrimagnetic phase transition occurs at TC ∼348 K. Meanwhile, in a high applied magnetic field, a rapid decrease of zero-field-cooled magnetization MZFC occurs at low temperatures (TH), which may be due to spin-reorientation transition. When the applied pressure increases, TC moves to lower temperatures implying that ferrimagnetic exchange interaction becomes weak, while TH is almost unchanged. Electrical transport measurement shows that the intrinsic electrical behavior is metallic, which is consistent with the specific heat result.

Pioneering ginger juice extract mediated synthesis of magnesium indate nanoparticles

Magnesium indate nanoparticles were synthesized via a biomediated route using ginger extract as a reducing agent followed by calcination. The Bragg reflections confirm the formation of an orthorhombic crystal structure with space group Imma. This was in turn confirmed through Rietveld refinement. The crystallite size and other structural parameters were calculated. Agglomerated irregularly sized and irregularly shaped nanoparticles were observed. The direct band gap was found to be 3.16 eV. Photoluminescence analysis was performed with excitation at 250 nm. The photoluminescence intensity and CIE values drop in the blue region of the visible spectrum. The correlated color temperature was found to be 2748 K. Further, the powder dusting method was used to collect latent fingerprints on porous and nonporous surfaces. The synthesized magnesium indate results in well-resolved ridge patterns that can be used to identify latent fingerprints with clarity. From all these results, the present synthesized magnesium indate nanoparticles might find application in display technology as a blue nanophosphor material and for latent fingerprint detection in forensic science.

Effect of Pb&lt;sub&gt;0.8&lt;/sub&gt;La &lt;sub&gt;0.2&lt;/sub&gt;Ti&lt;sub&gt;0.95&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt; Doping on the Electrical and Dielectric Properties of CCTO Compound Synthesized by Hybrid Method

In this work we studied the effect of the addition PL0.2T on the structural, electrical properties of the CCTO ceramic of (1-x) CaCu3Ti4O12 - x Pb0.8 La0.2Ti0.95O3 ((1-x) CCTO-x PL0.2T) with x=0.0; 0.2; 0.3; 0.4; 0.7and 1.0. The composites materials are prepared by hybrid method (solid-sol-gel) and sintered at 1000 °C for 4H. The X-Ray diffraction results reveal that the PL0.2T crystallizes in pure pseudo-cubic phase with Pm3m space group, while the CCTO show a cubic phase structure with space group Im-3. The composites samples of (1-x) CCTO-x PL0.2T indicate the coexistence of two cubic and pseudo-cubic phases. The SEM image indicate a change in grain shape and decrease of average grain size with increasing of PL0.2T content. The dielectric measurements as a function of temperature, show two anomalies which exhibit a relaxation phenomenon for x=0.2 and x=0.7 and a decrease dielectric constant value, it’s can be explained by the phase transition phenomenon of PL0.2T. The Cole-Cole diagram for all samples showed existence of two semi-arcs attributed to the grains and grains boundary, and it is found that the Rg values are smaller than the Rgb. The electrical properties give evidence on the formation of interior, barrier layer capacity (IBLC).

Synthesis, structure, and physical properties of a Y–Au-Ge 1/1 Tsai-type quasicrystal approximant and Y14(Au,Ge)51 with the Gd14Ag51 structure type

Exploration of the Au–Ge rich part of the pseudo-binary section Yx(Au0.70Ge0.30)100-x (3 < x < 18) in the Y–Au-Ge system afforded the intermetallic compounds Y3(Au0.7054Ge0.2946)19-x (x ≈ 0.38) and Y14(Au0.8313Ge0.1687)51, which are new representatives of the cubic 1/1 Tsai-type approximant crystal (YbCd6 parent type, space group Im3‾.) and the hexagonal Gd14Ag51 structure type (space group P6/m), respectively. Y3(Au0.7054Ge0.2946)19-x decomposes peritectically into Y14(Au,Ge)51 phase and melt at around 700 °C. In this respect the Y–Au-Ge system deviates from the Y–Au–Si system which firstly contains a second type of 1/1 approximant crystal phase with higher Y content, Y3.25(Au,Si)18-x (x ≈ 0.11) and, secondly, adjacent at higher Y composition there is a stoichiometric and ordered tetragonal phase YAu3Si. Y3(Au,Ge)19-x and Y14(Au,Ge)51 exhibit bulk superconductivity of conventional type-II BCS type albeit with very low transition temperatures (below 1 K), which is very similar to the corresponding compounds in the Y–Au–Si system.

Nuclear Magnetic Resonance Studies of Bicontinuous Liquid Crystalline Phases of Cubic Symmetry: Transport Properties from 2H Nuclear Magnetic Resonance Relaxation Rates.

The ternary system didodecyltrimethylammonium bromide, 1-decanol, and water forms an extended reversed continuous phase of cubic symmetry at 25 °C. The cubic phase belongs to the space group Im3m, as shown by small-angle X-ray experiments. We present extensive deuterium NMR relaxation data from this cubic phase for 1-decanol, deuterated at the carbon adjacent to the hydroxyl carbon position. 2H spin-lattice (R1) and spin-spin (R2) relaxation rates were measured over the existence region of the cubic phase, which extends from 0.2 to 0.6 in volume fraction of the dividing bilayer surface of the cubic phase. The data are interpreted with an existing theoretical framework for NMR spin relaxation in bicontinuous cubic phases, which takes its starting point in the description of bicontinuous phases using periodic minimal surfaces. Specifically, we obtain the self-diffusion coefficient over the minimal surface in one unit cell for 1-decanol. We also present pulsed field gradient NMR-derived self-diffusion data for didodecyltrimethylammonium bromide and compare the two sets of data. The diffusion data for both components show a mild, if any, dependence on the volume fraction of the bilayer surface. Furthermore, we present diffusion data for the water component in the cubic phase. Finally, we discuss the influences of the choice of the value of the product of the deuterium quadrupole constant and the order parameter S. Within the framework of the model used to analyze the relaxation data, a value for this parameter is required. As an initial value, we rely on measurements of deuterium quadrupolar splittings from deuterated decanol in an anisotropic phase.

Structural studies and magnetism of Dy6Ni2.43Sn0.5 stannide

Intermetallic compound Dy6Ni2.43Sn0.5 was prepared by arc melting and annealing at 873 K. It was characterized by X-ray powder diffraction, differential thermal analysis, and electron probe microanalysis. The crystal structure of low temperature Dy6Ni2.43Sn0.5 phase belongs to the orthorhombic Ho6Co2Ga structure type (space group Immm, a = 0.93116(1) nm, b = 0.94993(1) nm, c = 0.98947(1) nm). Crystal structure refinements showed the deviation from the ideal 6:2:1 stoichiometry corresponding to the formula Dy6Ni2.43Sn0.5. It exhibits a sequence of magnetic phase transitions; antiferromagnetic ordering sets in at 60 K, while further order-order magnetic phase transitions take place at lower temperatures.

Structure, Antiferroelectricity and Energy-Storage Performance of Lead Hafnate in a Wide Temperature Range.

Lead hafnate (PbHfO3) has attracted a lot of renewed interest due to its potential as antiferroelectric (AFE) material for energy storage. However, its room temperature (RT) energy-storage performance has not been well established and no reports on the energy-storage feature of its high-temperature intermediate phase (IM) are available. In this work, high-quality PbHfO3 ceramics were prepared via the solid-state synthesis route. Based on high-temperature X-ray diffraction data, the IM of PbHfO3 was found to be orthorhombic, Imma space group, with antiparallel alignment of Pb2+ ions along the [001]cubic directions. The polarization-electric field (P-E) relation of PbHfO3 is displayed at RT as well as in the temperature range of the IM. A typical AFE loop revealed an optimal recoverable energy-storage density (Wrec) of 2.7 J/cm3, which is 286% higher than the reported data with an efficiency (η) of 65% at 235 kV/cm at RT. A relatively high Wrec value of 0.7 J/cm3 was found at 190 °C with an η of 89% at 65 kV/cm. These results demonstrate that PbHfO3 is a prototypical AFE from RT up to 200 °C, making it a suitable material for energy-storage applications in a wide temperature range.

Li1/2Y1/2Cu3Ti4O12 Ceramic: Structural, Dielectric, and Electrical Investigations

A solid-state reaction was performed to create Li1/2Y1/2Cu3Ti4O12, a ceramic with a very high dielectric constant. The crystal structure of the ceramic samples belongs to the Im3 space group. Impurity phases such as CuO and TiO2 have been identified. A dielectric constant of approximately 4.70–5.00 × 103 and a low loss tangent of 0.091–0.126 were obtained from our sintered Li1/2Y1/2Cu3Ti4O12 (LYCTO) ceramics. Impedance spectroscopy results showed the ceramic microstructure to be electrically heterogeneous. From our electron density analysis, the oxygen vacancy in the LYCTO lattice is associated with the observation of the Cu+ and Ti3+ ions. Finally, significantly divergent values between Rg and Rgb and between Eg and Egb indicate that an internal barrier layer capacitor contributes significantly to this ceramic’s enormous dielectric properties.