Lattice Parameters Research Articles

Investigation of the optical properties of Pb1-xCdxTe films using spectroscopic ellipsometry

Using spectroscopic ellipsometry, we studied the optical properties of four Pb1-xCdxTe (0 ≤ x ≤ 0.20) films. The Pb1-xCdxTe films, deposited on silicon substrates using an electron-beam deposition technique, show a rock-salt structure, with their lattice constants decreasing as a function of Cd concentration. Ellipsometry measurements, which covered a wide spectral range between 0.1 eV to 4.1 eV, determined the index of refraction and the extinction coefficient of the films. As the Cd concentration increases from 0 % to 20 % in the Pb1-xCdxTe films, the index of refraction decreases by ∼10 %, across the entire energy range. Similarly, there seems to be a decrease in the extinction coefficient with the increase of Cd concentration. An oscillator model, depicting the optical functions of each Pb1-xCdxTe film, allowed us to obtain the band gap of each film which blue-shifts as the Cd concentration is increased. Besides the fundamental band gap, we recovered the higher-order electronic transitions that occur in the Brillouin zone of the Pb1-xCdxTe lattice.

Revealing the superior rate performance and cycle stability of the La and F Co-doping LiFePO4/C

In this work, the La substitution of iron and replacing the oxygen with fluorine are both adopted to expectantly enhance the rate performance and structure stability of LiFePO4 during working. The characterizations of X-ray diffraction, scanning electron microscope, transmission electron microscope, charging-discharging tests, electrochemical impedance spectroscopy and safety tests are used to investigate the influences of La3+ and F− doping on the LiFePO4. The results indicate the cathodes after La3+ doping not only deliver the larger lattice parameters and unit cell volume to broaden the lithium ions migration pathway and accelerate the Li + diffusion speed, but also strengthen the whole bond energy of LiFePO4 owing to the high bond energy of La–O. In addition, the F replacement of O could increase the length of Li–O bonds and decrease the length of P–O bonds, further be helpful to enhance the Li + diffusion between LiFePO4 phase and FePO4 phase due to the weakening of Li–O bonds. Finally, the La3+ and F− co-doped cathode delivers the superior discharge capacity of 139.3 mAh g−1 at 5C high rate and 127.2 mAh g−1 at −20 °C, with the high discharging capacity of 160.1 mAh g−1 after 100 cycles at 45 °C.

Investigation and Comparison of the Performance for β-Ga2O3 Solar-Blind Photodetectors Grown on Patterned and Flat Sapphire Substrate

Ga2O3, with its large band gap, is a promising material suitable for utilization in solar-blind photodetection. Sapphire with a higher lattice match with Ga2O3 was used as the substrate for epitaxial growth of Ga2O3. Here, the epitaxial layers of Ga2O3 were deposited by MOCVD on patterned sapphire substrates. The structure of epitaxial Ga2O3 layers on patterned substrates has been identified by X-ray diffractometry. To investigate the influence of the patterned substrates on the formation of epitaxial layers, thin Ga2O3 layers were grown on a flat sapphire substrate under the same conditions. Both types of samples were β-phase. However, no improvement in the layers’ crystalline quality was discovered when utilizing patterned sapphire substrates. In addition, the performance of the obtained two types of Ga2O3 photodetectors was compared. The photoelectric properties, such as responsivity, response speed, and detection capability, were different in the case of flat samples.

Study on the possibility of band gap widening of thermoelectric semiconductor α-SrSi2 by isoelectronic elements incorporation

The material α-SrSi2 has considerable application potential as a near room temperature thermoelectric material. However, it has a very narrow band gap which can vanish due to impurities, defects, and grain boundaries. To obtain guidelines for controlling the band gap and improving the thermoelectric properties, we have studied the substitution of isoelectronic impurities (Mg, Ca, and Ba for Sr, and C, Ge, and Sn for Si) through first-principles calculations using the Gaussian-Perdew-Burke-Ernzerhof hybrid functional. From these calculations, it was found that:(1) The band gap change due to Ca, Ba, Ge, and Sn substitutions is almost the same as that predicted from the change in the lattice constant of pure α-SrSi2.(2) Substitution with C was energetically unfavorable and therefore high levels of substitution would be difficult to achieve. However, it was expected to increase the band gap, contrary to the prediction from the decrease in the lattice constant.(3) An increase in the Mg substitution of the Sr site from 0 at. % to 8 at. % caused a decrease in the lattice constant from 0 % to −1.189 %

Carrier transport mechanisms of titanium nitride and titanium oxynitride electron-selective contact in silicon heterojunction solar cells

It is widely accepted that an effective carrier-selective contact is indispensable for high performance crystalline silicon (c-Si) solar cells. However, the properties of these carrier-selective contact materials significantly differ from c-Si in terms of band gap, work function, lattice constant. Consequently, this gives rise to challenges such as band discontinuity and suspended bonds at the interface, which subsequently impact the specific carrier transport process and potentially lead to a reduction primarily in the fill factor at the device level. Titanium nitride (TiN) and titanium oxynitride (TiOxNy) have been employed as an electron-selective contact in both c-Si and perovskite solar cells, demonstrating their effectiveness in enhancing the performance of these devices. Based on the detailed characterizations of the band alignment, the carrier transport mechanisms are analyzed using multiple models, and the theoretical results are basically self-consistent through the verification of variable temperature experiments. These analytical methods can also provide solutions for analyzing the band structure and transport mechanism of diverse heterojunctions, ultimately contributing to the design and optimization of semiconductor heterojunction devices.

Stoichiometry crystallographic phase analysis and crystallinity integration of silver nanoparticles: A Rietveld refinement study

A highly crystalline phase of silver nanoparticles was successfully synthesized using silver nitrate as the precursor and trisodium citrate dihydrate as the chelating agent. Rietveld refinement analysis revealed that approximately 95.0 % of the synthesized material consisted of crystalline silver nanoparticles, with the remaining 5.0 % being unreacted starting material. XRD characterized the prominent crystalline phase, providing insights into lattice parameters were α = β = γ = 90.0°, a = b = c = 4.08871 Å; lattice strain 0.290 %, lattice volume 68.353 Å3 and average dislocation density 9.6 9× 10-4 nm−2. The most intense diffraction peak was attributed to the (111) plane at 2θ = 38.18°. The average crystallite size was determined to be 32.12 nm, confirming the formation of crystalline silver nanoparticles. The specific surface area of the synthesized silver nanoparticles was 18 m2/g Notably, the synthesized silver nanoparticles exhibited a higher degree of crystallinity (59.35 %) compared to the standard silver nitrate (38.46 %), indicating a highly crystalline nature. The crystallographic data confirmed the successful synthesis of highly crystalline silver nanoparticles with improved crystallinity over the reference material.

Unveiling the characteristics of MgAl0.5Fe1.5O4 spinel ferrite: A study of structural, optical, and dielectric properties

Aluminium-doped magnesium ferrite (MAFO) has garnered significant interest due to its recently observed low microwave loss properties, making it invaluable for applications at high-frequency operations, including fields like spintronics and magnonics. This study delves into the optical and dielectric properties of MgAl0.5Fe1.5O4 synthesized via a conventional solid-state method followed by sintering at 1350 °C for 6 hrs. The X-ray diffraction analysis confirmed the formation of pure, single-phase MAFO spinel ferrite with the lattice constant of 8.313 Å. The Williamson–Hall (W-H) method was employed to determine the crystallite size and strain from X-ray diffraction data, resulting in values of 115.4 nm and 9.37 × 10–4, respectively. UV–visible spectroscopy was used to determine the optical properties, revealing a band gap of 2.38 eV and an average refractive index of 2.09 for the investigated spinel ferrite. The dielectric properties including capacitance, dielectric constant (ε), dielectric loss, ac conductivity, complex impedance, and modulus of MAFO sample were studied as a function of frequency for various temperatures. This comprehensive analysis sheds light on the previously undiscovered traits in the material's transport phenomena and optical attributes, opening an exciting and active field of research into its other physical properties.

Exploring novel filled skutterudites: A comprehensive DFT Modeling study on electronic, magnetic, curie temperature, elastic, thermal, and thermoelectric properties

Embarking on a captivating journey through the intricacies of two groundbreaking Skutterudite compounds, BaMn4X12 (X = As, Sb), employing first-principles calculations based on the Generalized Gradient Approximation (GGA) and modified Beck-Johnson approximation (mBJ) of density functional theory (DFT), has unveiled intriguing revelations. These compounds showcase exceptional stability within the ferromagnetic phase of the BaMn4As12 and BaMn4Sb12 cubic-type structure, boasting equilibrium lattice parameters of 0.933 nm for BaMn4As12 and 0.92 nm for BaMn4Sb12. The electronic properties point to their half-metallic nature, and a thorough analysis of elastic properties confirms their remarkable stability, high rigidity, anisotropy, and minimal deformation, exhibiting a ductile behavior. The magnetic properties analysis underscores the ferromagnetic state of both compounds, revealing a computed total magnetic moment of 4.76 μB for BaMn4As12 and 4.60 μB for BaMn4Sb12. Finally, our examination of the thermodynamic parameters of these compounds, conducted across temperatures ranging from 0 to 800 K and pressures from 0 to 40 GPa using the quasi-harmonic Debye model, underscores their immense potential for diverse applications. These findings inspire excitement, showcasing the promising avenues for the utilization of BaMn4X12 (X = As, Sb) compounds in various fields, including materials science, engineering, and technology. Additionally, the fundamental application of semi-classical Boltzmann theory has been incorporated into the advanced framework of BoltzTraP to investigate its transport coefficients. Hence, the general inclination of these specific compounds may support their potential for various applications in sustainable thermoelectrics, spintronics features, and more.

Solid solutions in disulfide systems Re(IV)S<sub>2</sub>–Ti(IV)S<sub>2</sub>, Re(IV)S<sub>2</sub>–Mo(IV)S<sub>2</sub>, and Re(IV)S<sub>2</sub>–W(IV)S<sub>2</sub>

Objectives. Chalcogenides of transition elements with low oxidation states, as well as their substituted derivatives, remain a poorly studied class of chemical compounds. Rhenium disulfide has many distinctive features and great application potential as a new twodimensional semiconductor. This is due to its unusual structure and unique anisotropic properties. The presence of weak interlayer bonding and a unique distorted octahedral (1T) structure suggests the possibility of creating new phases on its basis. The aim of this work is to obtain and study phases in systems Re(IV)S2–Ti(IV)S2, Re(IV)S2–Mo(IV)S2, and Re(IV)S2–W(IV)S2.Methods. The samples were obtained by high-temperature solid-phase ampoule synthesis in a vacuum. The study was carried out using X-ray phase analysis and X-ray photoelectron spectroscopy.Results. The regions of existence of solid solutions, intercalates and two-phase regions in the resulting systems were established.Diffraction patterns were obtained for the new phases and the crystal lattice parameters were calculated. Based on data relating to the binding energies of core electrons with the nucleus, the study showed the valence states of the elements after synthesis. The study also confirmed that all phases obtained as a result of synthesis contain transition elements in the oxidation state (IV).Conclusions. Intercalated solid solutions are formed in areas rich in rhenium, while in areas close to titanium and molybdenum disulfides, intercalated phases are attained. In the ReS2–WS2 system there is a region of solid solutions, including 30, 50, and 70 mol % rhenium disulfide. Their structure is a polymorphic modification of the structure of the original components. The presence of rhenium, molybdenum, and tungsten in these phases in the oxidation state (+IV) was confirmed. The data obtained on phase formation in dichalcogenide systems can be practically used in the creation of materials with unique electronic, magnetic, and optical properties with a wide range of applications.

Morphological, structural, and electronic properties of green synthesized ZnO nanoparticles by experimental and DFT+U method – A review

In these decades, researchers have paid much attention to green synthesis methods because of their low cost and eco-friendliness. Among all other semiconductors, ZnO nanoparticles have huge applications in optoelectronics devices, solar cells, photocatalysis, transistors, etc. This review article explains the green synthesis methods and factors affecting the morphology of ZnO nanoparticles. The morphology shows different structures such as nanowires, cubic, hexagonal, flower-like structures, etc. The XPS peaks Zn-2p1/2, Zn-2p3/2, and O-1S suggest that the synthesized nanoparticles are ZnO. The theoretical review part explains the electronic and structural properties of wurtzite ZnO nanoparticles. The implementation of the Hubbard-U scheme in the d and p shells using Local Density Approximation (LDA) and Generalized Gradient Approximation (GGA) shows the drastic change in the electronic and structural properties of ZnO nanoparticles. The optimized lattice parameters and band gap using Hubbard parameters by different DFT codes are tabulated. Also, we compared computational and experimental results.

A comprehensive investigation of alloying elements on site preferences, elastic properties and electronic structure of Mg17Al12 by first-principles calculations

The effect of elemental doping on the site preference, elastic properties and electronic structure of Mg17Al12 has been systematically investigated by first-principles calculations. And twenty-seven elements (Li, Na, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, Sr, Y, Zr, Ag, Cd, In, Sn, Sb, Pb, Bi and La) are considered in this study. The calculations of substitution formation energies indicate that the alkali metal (Li), alkaline earth (Ca, Sr) and rare earth (Sc, Y, La) group elements and Ti, Zr favor to occupy Mg sites, and transition group (Fe, Co, Ni, Cu, Ag, Zn, Cd) elements and Ga, Ge, Sn, Sb prefer to occupy Al site, while Na, K, V, Cr, Mn, In, Pb and Bi are unstable in Mg17Al12 phase. Meanwhile, the results of phonon dispersion curves for the preferentially doped systems show that all doped structures are dynamically stable except for Sr, La and Sn doped systems. The elastic constants indicate that all preferential doping models are mechanically stable, and solute atoms with high bulk modulus lead to an increase in the bulk modulus of Mg17Al12 phase. Simultaneously, the calculated shear modulus/bulk modulus ratio (G/B), Poisson's ratio (v) and Cauchy's pressure (C‾12‐C‾44) indicate that the ductility of doped systems is better than Mg17Al12 alloy. All structures are elastic anisotropic, while the doping of Fe, Co and Ni reduces the degree of anisotropy of Mg17Al12 phase. Furthermore, the electronic structures show a strong hybridization between the p-orbitals of Mg and Al and the d-orbitals of alkaline earth, rare earth and Zr elements, resulting in higher structural stability. Finally, the adsorption behavior of O atom on Mg17Al12(110) surface and the structural stability, lattice constants, and elastic modulus of Mg34Al24-xZnx random solid solution alloys are investigated.

Exploring the structural, magnetic and shielding performance of Mn doped Yb2O3 and Eu2O3 nanostructures

Re2-xMnxO3 (ReYb or Eu, x = 0.0, 0.05, 0.1, 0.15) nanostructures were produced utilizing the sol-gel procedure. The crystal structure and microstructure of all samples were analyzed based on XRD measurements using the Rietveld profile approach. The lattice parameter, cation distribution of different cations between different crystallographic sites, bond lengths of different polyhedrons, crystallite size, micro-strain and distortion index of the different polyhedrons of the formed sample were determined. Mn cations were found to prefer the 8b sites of the cubic bixbyite structure. The average crystallite size decreased following doping, while the microstrain experienced a significant increase. The low temperature dependent magnetizations for Yb1.85Mn0.15O3 and Eu1.85M0.15O3 nanostructures under a magnetic field of 200 Oe were investigated. Curie–Weiss law was employed to determine the magnetic configuration of the samples. The values of the effective magnetic moments μeff are 4.89 μB and 3.77 μB for Yb1.85Mn0.15O3 and Eu1.85M0.15O3, whereas the calculated values are 4.531 μB and 3.535 μB, respectively. The shielding properties of Re2-xMnxO3 (ReYb or Eu) nanostructures were studied using the Phy-X/PSD simulation program. The linear attenuation coefficients (LAC) and mass attenuation coefficients (MAC) values of the Yb2-xMnxO3 samples are greater than those of the Eu2-xMnxO3 samples. The half value length (HVL) and tenth value length (TVL) values increased as Mn was added to Re1.85Mn0.15O3 nanostructures. Yb1.85Mn0.05O3 and Eu1.85Mn0.05O3 nanostructures have the highest mean free path (MFP) values of 3 cm and 4 cm, respectively, at an energy of 5 MeV. The exposure build-up factor (EBF), and energy absorption build-up factor (EABF) values affected by the host rare earth oxide and the amount of Mn doping. The Re1.85Mn0.15O3 nanostructures exhibit a greater capacity to absorb photons with lower energy rather than higher energy. Yb1.85Mn0.15O3 nanostructure demonstrates exceptional neutron shielding capacities.

A First-Principles Study of the Structural, Elastic, and Mechanical Characteristics of Mg2Ni Subjected to Pressure Conditions

This study employs first-principles calculations to examine structural, elastic, and mechanistic relationships of Mg2Ni alloys under varying conditions of pressure. The investigation encompasses Young’s modulus, bulk modulus, shear modulus, Poisson’s ratio, and anisotropy index, as well as sound velocity, Debye temperature, and related properties. Our findings indicate that the lattice parameters of Mg2Ni in its ground state are in agreement with values obtained experimentally and from the literature, confirming the reliability of the calculated results. Furthermore, a gradual decrease in the values of the lattice parameters a/a0 and c/c0 is observed with increasing pressure. Specifically, the values for C13 and C33 decrease at a hydrostatic pressure of 5 GPa, while C11 and C13 increase when the external hydrostatic pressure exceeds 5 GPa. All other elastic constants exhibit a consistent increasing trend with increasing pressure between 0 and 30 GPa, with C11 and C12 increasing at a faster rate than C44 and C66. In the 0–30 GPa pressure range, Mg2Ni satisfies the mechanical stability criterion, indicating its stable existence under these conditions. Additionally, the Poisson’s ratio of Mg2Ni consistently exceeds 0.26 over a range of pressures from 0 to 30 GPa, signifying ductility and demonstrating consistency with the value of B/G. The hardness of Mg2Ni increases within the pressure range of 0–5 GPa, but decreases above 5 GPa. Notably, the shear anisotropy of Mg2Ni exhibits greater significance than the compressive anisotropy, with its anisotropy intensifying under higher pressures. Both the sound anisotropy and the Debye temperature of Mg2Ni demonstrate an increasing trend with rising pressure.

Immobilization of 137Cs in NaY type zeolite matrices using various heat treatment methods

The accumulation of liquid radioactive waste presents a significant global challenge, necessitating effective strategies for safe management. This study investigates the immobilization of 137Cs radionuclides, a prominent component of liquid radioactive waste, in ceramic matrices based on 137Cs-saturated NaY Faujasite zeolite. Various thermal methods were employed, including cold pressing and sintering, cold pressing and sintering with microwave assistance, hot pressing, and spark plasma sintering, to enhance immobilization capabilities. Zeolite powder was saturated with 137Cs radionuclides using an adsorption technique with low-activity model liquid radioactive waste. In-situ XRD and dilatometry methods were used to study the thermal behavior during NaY Faujasite annealing. The influence of calcination temperature on lattice parameters and crystallite size was assessed. Immobilization effectiveness was evaluated through relative density, Vickers microhardness, compressive strength, and metal ion leaching kinetics. Mechanistic evaluation was performed using XRD and SEM-EDX studies. Results showed that spark plasma sintering exhibited the highest efficiency for immobilizing 137Cs radionuclides in NaY Faujasite matrices. This research contributes to liquid radioactive waste management by providing insights into the thermal behavior and enhanced immobilization capabilities of ceramic matrices.

A systematic first-principles investigation of the structural, electronic, mechanical, optical, and thermodynamic properties of Half-Heusler ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) for spintronics and optoelectronics applications.

This paper is the first to look at the structural, electronic, mechanical, optical, and thermodynamic properties of the ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) half-Heusler (HH) using DFT based first principles method. The lattice parameters that we have calculated are very similar to those obtained in prior investigations with theoretical and experimental data. The positive phonon dispersion curve confirm the dynamical stability of ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn). The electronic band structure and DOS confirmed that the studied materials ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) are direct band gap semiconductors. The investigation also determined significant constants, including dielectric function, absorption, conductivity, reflectivity, refractive index, and loss function. These optical observations unveiled our compounds potential utilization in various electronic and optoelectronic device applications. The elastic constants were used to fulfill the Born criteria, confirming the mechanical stability and ductility of the solids ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn). The calculated elastic modulus revealed that our studied compounds are elastically anisotropic. Moreover, ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) has a very low minimum thermal conductivity (Kmin), and a low Debye temperature (θD), which indicating their appropriateness for utilization in thermal barrier coating (TBC) applications. The Helmholtz free energy (F), internal energy (E), entropy (S), and specific heat capacity (Cv) are determined by calculations derived from the phonon density of states.

Phase equilibria and crystallographic structure of clathrate hydrate formed with carbon dioxide and cyclohexanone

This paper reports the phase equilibrium and crystallographic data of the hydrate formed in the CO2 + cyclohexanone + water system. We measured the phase equilibrium condition and conducted the powder X-ray diffraction measurements. The formation of the structure II hydrate in the system of CO2 + cyclohexanone + water was observed at the temperature from 270.0 K to 275.6 K, under the pressure from 0.62 MPa to 1.70 MPa.At 270.0 K – 275.6 K and 0.62 MPa – 1.70 MPa, the structure II hydrate formed, and the phase equilibrium condition alleviated in the system of CO2 + cyclohexanone + water, while the hydrate formed at 276.5 K - 280.7 K and 2.02 MPa – 3.33 MPa, displayed structure I and cyclohexanone acted as an inhibitor. Equilibrium conditions were measured using the isochoric method, revealing different p-T slopes at high and low temperatures. The high-temperature slope closely resembled that of structure I CO2 hydrate reported previously. We continuously monitored temperature and pressure during the structural phase transition, resulting in a slope change. To directly determine the hydrate structure, PXRD measurements were conducted on two samples: one from the high-temperature side and the other from the low-temperature side. The sample from the high-temperature side exhibited structure I with a lattice constant of 11.8749 (9) Å at 153 K, while the low-temperature sample displayed structure II with a lattice constant of 17.443(1) Å at 153 K.

Sol-gel derived ternary CrxCuCx-1 compounds: Characterization, structural insights and biological properties

This research explores a novel method for synthesizing Cr-Cu-C ternary carbide using a sol-gel technique. The study targeted to produce a wide range of transition metal carbides within the Cr-Cu-C system by varying the elemental ratios. The primary goal was to observe how compositional changes affect the morphological, structural, and chemical properties of the resulting ternary compounds resembling the MAX phase. Another focus is to establish a practical synthesis route and evaluating the materials' suitability for different applications. The synthesis process involved combining metal nitrates and citric acid, followed by carbothermal reduction. Comprehensive characterization techniques, including FTIR, XRD, SEM, EDX, XPS, and Raman spectroscopy, were employed to thoroughly recognize the prepared materials. In XRD, the calculated lattice parameters indicated hexagonal structures for all the prepared ratios, confirming successful synthesis and providing insights into their morphological and chemical properties. This has also been supported with other characterization techniques, Additionally, the Cr-Cu-C materials demonstrated strong antifungal and antibacterial effects against Candida albicans, E. coli, and B. cereus, highlighting their potential for biomedical applications. Furthermore, their anti-cancer potential against HepG2 liver cancer cells was assessed, showing effectiveness and inhibition among the samples. These findings highlight the potential of the synthesized Cr-Cu-C materials in diverse biomedical applications, supported by their structural integrity, morphological features, and antimicrobial properties.

Strain-free MoS2/ZrGe2N4 van der Waals Heterostructure: Tunable Electronic Properties with Type-II Band Alignment.

Vertically stacked van der Waals heterostructures (vdW-HS) amplify the scope of 2D materials for emerging technological applications, such as nanodevices and solar cells. Here, we present a first-principles study on the formation energy and electronic properties of the heterobilayer (HBL) MoS2/ZrGe2N4, which forms a strain-free vdW-HS thanks to the identical lattice parameters of its constituents. This system has an indirect band gap with type-II band alignment, with the highest occupied and lowest unoccupied states localized on MoS2 and ZrGe2N4, respectively. Biaxial strain, which generally reduces the band gap regardless of compression or expansion, is applied to tune the electronic properties of the HBL. A small amount of tensile strain (>1%) leads to an indirect-to-direct transition, thereby shifting the band edges at the center of the Brillouin zone and leading to optical absorption in the visible region. These results suggest the potential application of HBL MoS2/ZrGe2N4 in optoelectronic devices.

Enhancing photocatalytic dye degradation efficiency through the utilization of shock wave effects on neodymium oxide (Nd2O3)

This article delves into the impact of shockwaves on neodymium oxide (Nd2O3) nanoparticles, aiming to evaluate their physical and chemical stability. Nd2O3 nanoparticles were subjected to varying sets of shock pulses (100, 200, and 300) in photocatalytic dye degradation. The nanoparticles crystallinity and unit cell volume after shockwave exposure were examined using powder X-ray diffraction (PXRD) analysis with unit-cell software. PXRD data revealed no alterations in the crystalline structure, lattice parameter and unit cell volume. Comparisons between pre- and post-shockwave field emission scanning electron microscopy (FE-SEM) portraying data demonstrate that repeated shockwave application causes a decrease in particle size. Raman spectroscopy, under ambient conditions, shows a high intensity after shock conditions intensity will decrease. Furthermore, FTIR spectroscopy revealed the characteristic strong and broad absorption band associated with metal-oxygen (Nd-O) groups in the Nd2O3 nanoparticles. UV–Vis diffuse reflectance spectroscopy (DRS) was used to investigate the bandgap of the Nd2O3 nanoparticles. Initially, the bandgap was measured at 5.96 eV under ambient conditions, but following the shockwave exposure, it was decreased to approximately 5.91 eV. Interestingly, the surface area of the shockwave-treated Nd2O3 nanoparticles is increased and exhibited an increased efficiency in photocatalytic dye degradation. This finding holds promising implications for environmental remediation applications.

Exploring bismuth-substituted yttrium iron garnet: Insights into structural, optical, and dielectric characteristics

Magnetic garnets, a diverse group of magnetic insulating materials, have been the subject of extensive research for decades, owing to their versatility and potential for a wide range of applications. In this study, we synthesized Bismuth-Substituted Yttrium Iron Garnet (BiY2Fe5O12: BiYIG) using the solid-state reaction method to explore its structural, optical, and dielectric characteristics. X-ray diffraction analysis revealed the attainment of a pure cubic garnet phase in BiYIG, with a lattice parameter of 12.444 Å. Using UV–visible spectroscopy, we determined that the optical band gap of BiYIG is 2.2 eV, indicating n-type semiconductor behavior. We conducted a thorough investigation of the dielectric properties, examining capacitance, dielectric constant, dielectric loss, conductivity, impedance, and modulus, as functions of frequency and temperature. The impedance results revealed that the dielectric relaxation at room temperature was dominated by a Debye-type process, with a shift to a non-Debye-type process becoming apparent as temperature increased. Comprehensive analysis sheds light on the material's transport phenomena and optical attributes, offering insights into the potential of BiYIG for applications in magneto-dielectric and magneto-optical domains, given its high dielectric constant with low dielectric loss, and promising optical properties. These findings position BiYIG as a versatile material and underscore its suitability for advanced applications in future technological developments.