Search results for: tin halide perovskite.

Authors: Sari Aouatef, Larabi Amina

Abstract:

First-principles calculations within density functional theory based are used to investigate the influence of doped rare earth elements on some properties of perovskite systems Dy₀.₀₆₂₅Y₀.₉₃₇₅FeO₃ and Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃. The electronic and magnetic properties are studied by means of the full-potential linearized augmented plane wave method with Vasp code. The calculated densities of states presented in this work identify the semiconducting behavior for Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃, and the semi-metallic behavior for Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃. Besides, to investigate magnetic properties of several compounds, four magnetic configurations are considered (ferromagnetic (FM), antiferromagnetic type A (A-AFM), antiferromagnetic type C (C-AFM) and antiferromagnetic type G (G-AFM). By doping the Dy element, the system shows different changes in the magnetic order and electronic structure. It is found that Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃ exhibits the strongest magnetic change corresponding to the transition to the ferromagnetic order with the largest magnetic moment of 4.997.

Keywords: DFT, Perovskites, multiferroic, magnetic properties

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Authors: Tarek S. Jamil, H. A. Abbas, Rabab A. Nasr, Eman S. Mansor, Rose-Noëlle Vannier

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The citrate manner (Pechini method) was utilized in elaboration of a novel Nano-sized BaFe(1-x)CuxO3 (x=0.01, 0.05 and 0.10). The prepared photocatalysts were characterized by x-ray diffraction, diffuse reflectance, TEM and the surface area. The prepared samples have a mixture of cubic perovskite structure (main) and orthorhombic phases. The effect of different loads of copper as dopant on the structural properties as well as the photocatalytic activity was demonstrated. The lattice parameter and the unit cell volume of the prepared materials are given. Doping with copper increased the photocatalytic activity of BaFeO3 several times in abstraction of hazardous atrazine that causes acute problems in drinking water treatment facilities. This may be reasoned to low band gap energy of copper doped BaFe(1-x)CuxO3 attributed to oxygen vacancies formation.

Keywords: photocatalysis, nano-sized, BaFeO3, copper doping, atrazine

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Authors: Ying-Chieh Lee, Huei-Jyun Shih, Ting-Yang Wang, Christian Pithan

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This study focuses on the synthesis and characterization of Ca₀.₆Sr₀.₄₋ₓBaₓZrO₃ (x = 0.01, 0.04, 0.07, and 0.10) ceramics prepared via the solid-state method and sintered at 1450 °C. The impact of Sr substitution by Ba at the A-site of the perovskite structure on crystalline properties and microwave dielectric performance was investigated. The experimental results show the formation of a single-phase structure, Ca₀.₆₁₂Sr₀.₃₈₈ZrO₃(CSZ), across the entire range of x values. It is evident that the Ca₀.₆Sr₀.₃₉Ba₀.₀₁ZrO₃ ceramics exhibit the highest sintering density and the lowest porosity. These ceramics exhibit impressive dielectric properties, including a high permittivity of 28.38, low dielectric loss of 4.0×10⁻⁴, and a Q factor value of 22988 at 9~10GHz. The research reveals that the influences of Sr substitution by Ba in enhancing the microwave dielectric properties of Ca₀.₆₁₂Sr₀.₃₈₈ZrO₃ ceramics and the impedance curves clearly showed effects on the electrical properties.

Keywords: NPO dielectric material, (Ca₀.₆Sr₀.₄)ZrO₃, microwave dielectric properties

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Authors: A. V. Trukhanov, S. V. Trukhanov, L. V. Panina, V. G. Kostishin, V. A. Turchenko

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It has been shown that BaFe₁₂O₁₉ is a perspective room-temperature multiferroic material. A large spontaneous polarization was observed for the BaFe₁₂O₁₉ ceramics revealing a clear ferroelectric hysteresis loop. The maximum polarization was estimated to be approximately 11.8 μC/cm². The FeO₆ octahedron in its perovskite-like hexagonal unit cell and the shift of Fe³⁺ off the center of octahedron are suggested to be the origin of the polarization in BaFe₁₂O₁₉. The magnetic field induced electric polarization has been also observed in the doped BaFe_12-x-δSc_xM_δO₁₉ (δ=0.05) at 10 K and in the BaSc_xFe_12−xO₁₉ and SrSc_xFe_12−xO₁₉ (x = 1.3–1.7) M-type hexaferrites. The investigated BaFe_12-xD_xO₁₉ (x=0.1, D-Al³⁺, In³⁺) samples have been obtained by two-step “topotactic” reactions. The powder neutron investigations of the samples were performed by neutron time of flight method at High Resolution Fourier Diffractometer.

Keywords: substituted hexaferrites, ferrimagnetics, ferroelectrics, neutron powder diffraction, crystal and magnetic structures

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Authors: A. E. Kobryn

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We present both descriptive and predictive modeling of structural properties of blends of PCBM or organic-inorganic hybrid perovskites of the type CH3NH3PbX3 (X=Cl, Br, I) with P3HT, P3BT or squaraine SQ2 dye sensitizer, including adsorption on TiO2 clusters having rutile (110) surface. In our study, we use a methodology that allows computing the microscopic structure of blends on the nanometer scale and getting insight on miscibility of its components at various thermodynamic conditions. The methodology is based on the integral equation theory of molecular liquids in the reference interaction site representation/model (RISM) and uses the universal force field. Input parameters for RISM, such as optimized molecular geometries and charge distribution of interaction sites, are derived with the use of the density functional theory methods. To compare the diffusivity of the PCBM in binary blends with P3HT and P3BT, respectively, the study is complemented with MD simulation. A very good agreement with experiment and the reports of alternative modeling or simulation is observed for PCBM in P3HT system. The performance of P3BT with perovskites, however, seems as expected. The calculated nanoscale morphologies of blends of P3HT, P3BT or SQ2 with perovskites, including adsorption on TiO2, are all new and serve as an instrument in rational design of organic/hybrid photovoltaics. They are used in collaboration with experts who actually make prototypes or devices for practical applications.

Keywords: multiscale theory and modeling, nanoscale morphology, organic-inorganic halide perovskites, three dimensional distribution

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Authors: S. Khardazi, H. Zaitouni, A. Neqali, S. Lyubchyk, D. Mezzane, M. Amjoud, E. Choukri, S. Lyubchyk, Z. Kutnjak

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In the present paper, structural, dielectric, ferroelectric, and energy storage properties of pure perovskite lead-free BCZT, BTSn, and BTSn-BCZT ferroelectric ceramics have been investigated. Rietveld refinement of XRD data confirms the coexistence of the rhombohedral and orthorhombic phases at room temperature in the composite BCZT–BTSn ceramic. Remarkably, an improved recoverable energy density of 137.86 mJ/cm³ and a high energy storage efficiency of 86.19 % at 80°C under a moderate applied electric field of 30 kV/cm were achieved in the designed BCZT–BTSn ceramic. Besides, the sample exhibits excellent thermal stability of the energy storage efficiency (less than 3%) in the temperature range of 70 to 130 °C under 30 kV/cm. Such results make the pb-free BCZT–BTSn ferroelectric ceramic a very promising potential matrix for energy storage capacitor applications.

Keywords: sol-gel, ferroelectrics, lead-free, perovskites, energy storage

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Authors: Tal Remez, Or Litany, Alex Bronstein

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The pursuit of smaller pixel sizes at ever increasing resolution in digital image sensors is mainly driven by the stringent price and form-factor requirements of sensors and optics in the cellular phone market. Recently, Eric Fossum proposed a novel concept of an image sensor with dense sub-diffraction limit one-bit pixels (jots), which can be considered a digital emulation of silver halide photographic film. This idea has been recently embodied as the EPFL Gigavision camera. A major bottleneck in the design of such sensors is the image reconstruction process, producing a continuous high dynamic range image from oversampled binary measurements. The extreme quantization of the Poisson statistics is incompatible with the assumptions of most standard image processing and enhancement frameworks. The recently proposed maximum-likelihood (ML) approach addresses this difficulty, but suffers from image artifacts and has impractically high computational complexity. In this work, we study a variant of a sensor with binary threshold pixels and propose a reconstruction algorithm combining an ML data fitting term with a sparse synthesis prior. We also show an efficient hardware-friendly real-time approximation of this inverse operator. Promising results are shown on synthetic data as well as on HDR data emulated using multiple exposures of a regular CMOS sensor.

Keywords: binary pixels, maximum likelihood, neural networks, sparse coding

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Authors: Kaiyuan Chena, Senentxu Lanceros-Méndeza, Laijun Liub, Qi Zhanga

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0.6Bi(Mg1/2Ti1/2)O3-0.4Ba0.8Ca0.2(Nb0.125Ti0.875)O3 (0.6BMT-0.4BCNT) ceramics with a pseudo-cubic structure and re-entrant dipole glass behavior have been investigated via X-ray diffraction and dielectric permittivity-temperature spectra. It shows an excellent dielectric-temperature stability with small variations of dielectric permittivity (± 5%, 420 - 802 K) and dielectric loss tangent (tanδ < 2.5%, 441 - 647 K) in a wide temperature range. Three dielectric anomalies are observed from 290 K to 1050 K. The low-temperature weakly coupled re-entrant relaxor behavior was described using Vogel-Fulcher law and the new glass model. The mid- and high-temperature dielectric anomalies are characterized by isothermal impedance and electrical modulus. The activation energy of both dielectric relaxation and conductivity follows the Arrhenius law in the temperature ranges of 633 - 753 K and 833 - 973 K, respectively. The ultrahigh thermal stability of the dielectric permittivity is attributed to the weakly coupling of polar clusters, the formation of diffuse phase transition (DPT) and the local phase transition of calcium-containing perovskite.

Keywords: permittivity, relaxor, electronic ceramics, activation energy

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Authors: E. S. Kozlyakova, A. A. Eliseev, A. V. Moskin, A. Y. Akhrorov, P. S. Berdonosov, V. A. Dolgikh, K. N. Denisova, P. Lemmens, B. Rahaman, S. Das, T. Saha-Dasgupta, A. N. Vasiliev, O. S. Volkova

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Considerable attention has been paid recently to FeTe₂O₅Cl due to reduced dimensionality and frustration in the magnetic subsystem, succession of phase transitions, and multiferroicity. The efforts to grow its selenite sibling resulted in mixed halide compound, Fe(Te₁.₅Se₀.₅)O₅Cl, which was found crystallizing in a new structural type and possessing properties drastically different from those of a parent system. Hereby we report the studies of magnetization M and specific heat Cₚ, combined with Raman spectroscopy and density functional theory calculations in Fe(Te₁.₅Se₀.₅)O₅Cl. Its magnetic subsystem features weakly coupled Fe³⁺ - Fe³⁺ dimers showing the regime of short-range correlations at TM ~ 70 K and long-range order at TN = 22 K. In a magnetically ordered state, sizable spin-orbital interactions lead to a small canting of Fe³⁺ moments. The density functional theory calculations of leading exchange interactions were found in agreement with measurements of thermodynamic properties and Raman spectroscopy. Besides, because of the relatively large magnetic moment of the Fe³⁺ ion, we found that magnetic dipole-dipole interactions contribute significantly to experimentally observed orientation of magnetization easy axis in ac-plane. As a conclusion, we suggest a model of magnetic subsystem in magnetically ordered state of Fe(Te₁.₅Se₀.₅)O₅Cl based on a model of interacting dimers.

Keywords: dipole-dipole interactions, low dimensional magnetism, selenite, spin canting

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Authors: Radhamanohar Aepuru, R. V. Mangalaraja

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Flexible electronic devices have drawn potential interest and provide significant new insights to develop energy conversion and storage devices such as photodetectors and nanogenerators. Recently, self-powered electronic systems have captivated huge attention for next generation MEMS/NEMS devices that can operate independently by generating built-in field without any need of external bias voltage and have wide variety of applications in telecommunication, imaging, environmental and defence sectors. The basic physical process involved in these devices are charge generation, separation, and charge flow across the electrodes. Many inorganic nanostructures have been exploring to fabricate various optoelectronic and electromechanical devices. However, the interaction of nanostructures and their excited charge carrier dynamics, photoinduced charge separation, and fast carrier mobility are yet to be studied. The proposed research is to address one such area and to realize the self-powered electronic devices. In the present work, nanocomposites of inorganic nanostructures based on ZnO, metal halide perovskites; and polyvinylidene fluoride (PVDF) based nanocomposites are realized for photodetectors and nanogenerators. The characterization of the inorganic nanostructures is carried out through steady state optical absorption and luminescence spectroscopies as well as X-ray diffraction and high-resolution transmission electron microscopy (TEM) studies. The detailed carrier dynamics is investigated using various spectroscopic techniques. The developed composite nanostructures exhibit significant optical and electrical properties, which have wide potential applications in various MEMS/NEMS devices such as photodetectors and nanogenerators.

Keywords: dielectrics, nanocomposites, nanogenerators, photodetectors

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Authors: Maliheh Raji, Hossein Abolghasemi, Jaber Safdari, Ali Kargari

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Dysprosium is a rare earth element which is essential for many growing high-technology applications. Dysprosium along with neodymium plays a significant role in different applications such as metal halide lamps, permanent magnets, and nuclear reactor control rods preparation. The purification and separation of rare earth elements are challenging because of their similar chemical and physical properties. Among the various methods, membrane processes provide many advantages over the conventional separation processes such as ion exchange and solvent extraction. In this work, selective extraction and separation of dysprosium from aqueous solutions containing an equimolar mixture of dysprosium and neodymium by emulsion liquid membrane (ELM) was investigated. The organic membrane phase of the ELM was a nanofluid consisting of multiwalled carbon nanotubes (MWCNT), Span80 as surfactant, Cyanex 272 as carrier, kerosene as base fluid, and nitric acid solution as internal aqueous phase. Factors affecting separation of dysprosium such as carrier concentration, MWCNT concentration, feed phase pH and stripping phase concentration were analyzed using Taguchi method. Optimal experimental condition was obtained using analysis of variance (ANOVA) after 10 min extraction. Based on the results, using MWCNT nanofluid in ELM process leads to increase the extraction due to higher stability of membrane and mass transfer enhancement and separation factor of 6 for dysprosium over neodymium can be achieved under the optimum conditions. Additionally, demulsification process was successfully performed and the membrane phase reused effectively in the optimum condition.

Keywords: emulsion liquid membrane, MWCNT nanofluid, separation, Taguchi method

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Authors: H. Krarcha

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The structural, elastic, vibrational and thermal properties of AHfO3 compounds with the cubic perovskites structure have been investigated, by employing a first principles method, using the plane wave pseudo potential calculations (PP-PW), based on the density functional theory (DFT), within the local density approximation (LDA). The optimized lattice parameters, independent elastic constants (C11, C12 and C44), bulk modulus (B), compressibility (b), shear modulus (G), Young’s modulus (Y ), Poisson’s ratio (n), Lame´’s coefficients (m, l), as well as band structure, density of states and electron density distributions are obtained and analyzed in comparison with the available theoretical and experimental data. For the first time the numerical estimates of elastic parameters of the polycrystalline AHfO3 ceramics (in framework of the VoigteReusseHill approximation) are performed. The quasi-harmonic Debye model, by means of total energy versus volume calculations obtained with the FP-LAPW method, is applied to study the thermal and vibrational effects. Predicted temperature and pressure effects on the structural parameters, thermal expansions, heat capacities, and Debye temperatures are determined from the non-equilibrium Gibbs functions.

Keywords: Hafnium, elastic propreties, first principles calculation, perovskite

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Authors: Radhapiyari Laishram, Chongtham Jiten, K. Chandramani Singh

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During the last decade, there has been a significant growth in developing lead-free piezoelectric ceramics which have the potential to replace the currently dominant but highly superior lead-based piezoelectric materials such as PZT. Among the lead-free piezoelectrics, (K0.5Na0.5)NbO3 - based piezoceramics are promising candidates due to their superior piezoelectric properties and high Curie temperatures. In this work, (K0.5Na0.5)(Nb1-xVx)O3 powders with x varying the range 0 to 0.05 were synthesized from the raw materials K2CO3, Na2CO3, Nb2O5, and V2O5. These powders were ball milled with high-energy Retsch PM 100 ball mill using isopropanol as the medium at the speed of 200rpm for a duration of 8h. The milled powders were sintered at 1080oC for 1h. The crystalline phase of all the calcined powders and corresponding ceramics prepared was found to be perovskite with orthorhombic symmetry. The ceramic with V5+ content of x=0.03 exhibits the maximum values in density of 4.292 g/cc, room temperature dielectric constant (εr) of 432, and piezoelectric charge constant (d33) of 93pC/N. For this sample, the dielectric tan δ loss remains relatively low over a wide temperature range. The temperature dependence of P-E hysteresis loops has been investigated for the ceramic composition with x = 0.03.

Keywords: dielectric properties, ferroelectric properties, perovskie, piezoelectric properties

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Authors: Alok Tiwari, Ming Show Wong

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Lanthanum (La) doped Barium Tin Oxide (BaSnO₃) film is an excellent alternative for expensive Transparent Conducting Oxides (TCOs) film such as Indium Tin Oxide (ITO). However single crystal film of La-doped BaSnO₃ has been reported with a good amount of conductivity and transparency but in order to improve its reachability, it is important to grow doped BaSO₃ films on an inexpensive substrate. La-doped BaSnO₃ thin films have been grown on quartz substrate by Radio Frequency (RF) sputtering at a different substrate temperature (from 200⁰C to 750⁰C). The thickness of the film measured was varying from 360nm to 380nm with varying substrate temperature. Structure, optical and electrical properties have been studied. The carrier concentration is seen to be decreasing as we enhance the substrate temperature while mobility found to be increased up to 9.3 cm²/V-S. At low substrate temperature resistivity found was lower (< 3x10⁻³ ohm-cm) while sudden enhancement was seen as substrate temperature raises and the trend continues further with increasing substrate temperature. Optical transmittance is getting better with higher substrate temperature from 70% at 200⁰C to > 80% at 750⁰C. Overall, understanding of changes in microstructure, electrical and optical properties of a thin film by varying substrate temperature has been reported successfully.

Keywords: conductivity, perovskite, mobility, TCO film

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Authors: Geetanjali Singh, R. J. Choudhary, Anjana Dogra

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Here we report the effects of anti-site disorder, present in the sample, on the magnetic properties of Sm₂NiMnO₆ (SNMO) thin films. To our best knowledge, there are no studies available on the thin films of SNMO. Thin films were grown using pulsed laser deposition technique on SrTiO₃ (STO) substrate under oxygen pressure of 800 mTorr. X-ray diffraction (XRD) profiles show that the film grown is epitaxial. Field cooled (FC) and zero field cooled (ZFC) magnetization curve increase as we decrease the temperature till ~135K. A broad dip was observed in both the curves below this temperature which is more dominating in ZFC curve. An additional sharp cusplike shape was observed at low temperature (~20 K) which is due to the re-entrant spin-glass like properties present in the sample. Super-exchange interaction between Ni²⁺-O-Mn⁴⁺ is attributed to the FM ordering in these samples. The spin-glass feature is due to anti-site disorder within the homogeneous sample which was stated to be due to the mixed valence states Ni³⁺ and Mn³⁺ present in the sample. Anti-site disorder was found to play very crucial role in different magnetic phases of the sample.

Keywords: double perovskite, pulsed laser deposition, spin-glass, magnetization

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Authors: Matúš Mihalik, Martin Vavra, Kornel Csach, Marián Mihalik

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GdMnO₃ belongs to orthorhombically distorted, GdFeO₃-type family of perovskite compounds. These compounds are naturally vacant and the amount of vacancies depend on the sample preparation conditions. Our GdMnO₃ samples were prepared by float zone method and the vacancies were controlled using an air, Ar and O₂ preparation atmosphere. The highest amount of vacancies was found for sample prepared in Ar atmosphere, while the sample prepared in O₂ was observed to be almost vacancy-free. The magnetic measurements indicate that the preparation atmosphere has no impact on Néel temperature (TN ~ 42 K), however, it has strong impact on the incommensurate antiferromagnetic (IC) to canted A-type weak ferromagnetic (AWF) phase transition at T1: T1 = 23.4 K; 18 K and 6.7 K for samples prepared in Ar; air and O₂ atmosphere; respectively. The hysteresis loop measured at 2 K has a butterfly-type shape with the remnant magnetization (Mr) of 0.6 µB/f.u. for Ar and air sample, while Mr = 0.3 µB/f.u. for O₂ sample. The shape of the hysteresis loop depends on the preparation atmosphere in magnetic fields up to 1.5 T, but is independent for higher magnetic fields. The coercive field of less than 0.06 T and the maximum magnetic moment of 6 µB/f.u. at magnetic field µ0H = 7 T do not depend on the preparation atmosphere. All these findings indicate that only AWF phase of GdMnO₃ compound is directly affected by the vacancies in the system, while IC phase and the field induced ferroelectric phase are not affected.

Keywords: magnetism, perovskites, sample preparation, magnetic phase transition

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Authors: Jigar Shaileshumar Halpati, Aravind Kumar Chandiran

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Vacancy ordered double perovskites (VOPs) have been significantly attracting researchers due to their chemical structure diversity and interesting optoelectronic properties. Some VOPs have been recently reported to be suitable photoelectrodes for photoelectrochemical water-splitting reactions due to their high stability and panchromatic absorption. In this work, we systematically synthesized mixed tetravalent VOPs based on Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) and reported their structural, optical, electrochemical and photoelectrochemical properties. The structural characterization confirms that the mixed tetravalent site intermediates formed their own phases. The parent materials, as well as their intermediates, were found to be stable in ambient conditions for over 1 year and also showed incredible stability in harsh pH media ranging from pH 1 to pH 11. Moreover, these materials showed panchromatic absorption with onset up to 1000 nm depending upon the mixture stoichiometry. The extraordinary stability and excellent absorption properties make them suitable materials for photoelectrochemical water-splitting applications. PEC studies of these series of materials showed a high water oxidation photocurrent of 0.56 mA cm-² for Cs₂Ru₀.₅Pt₀.₅Cl₆. Fundamental investigation from photoelectrochemical reactions revealed that the intrinsic ruthenium-based VOP showed enhanced hole transfer to the electrolyte, while the intrinsic platinum-based VOP showed higher photovoltage. The mix of these end members at the tetravalent site showed a synergic effect of reduced charge transfer resistance from the material to the electrolyte and increased photovoltage, which led to increased PEC performance of the intermediate materials.

Keywords: solar water splitting, photo electrochemistry, photo absorbers, material characterization, device characterization, green hydrogen

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Authors: Amel Souidi, S. Bentata, B. Bouadjemi, T. Lantri, Z. Aziz

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Perovskite materials which include magnetic elements have relevance due to the technological perspectives in the spintronics industry. In this work, we have investigated the structural, electronic and magnetic properties of double perovskites Ba2MnXO6 with X= Mo and W by using the full-potential linearized augmented plane wave (FP-LAPW) method based on Density Functional Theory (DFT) [1, 2] as implemented in the WIEN2K [3] code. The interchange-correlation potential was included through the generalized gradient approximation (GGA) [4] as well as taking into account the on-site coulomb repulsive interaction in (GGA+U) approach. We have analyzed the structural parameters, charge and spin densities, total and partial densities of states. The results show that the materials crystallize in the 225 space group (Fm-3m) and have a lattice parameter of about 7.97 Å and 7.95 Å for Ba2MnMoO6 and Ba2MnWO6, respectively. The band structures reveal a metallic ferromagnetic (FM) ground state in Ba2MnMoO6 and half-metallic (HM) ferromagnetic (FM) ground state in the Ba2MnWO6 compound, with total magnetic moment equal 2.9951μB (Ba2MnMoO6 ) and 4.0001μB (Ba2MnWO6 ). The GGA+U calculations predict an energy gap in the spin-up bands in Ba2MnWO6. So we estimate that this material with HM-FM nature implies a promising application in spin-electronics technology.

Keywords: double perovskites, electronic structure, first-principles, semiconductors

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Authors: Mihai I. Sturza, Laura T. Corredor, Kaustuv Manna, Gizem A. Cansever, Tushar Dey, Andrey Maljuk, Olga Kataeva, Sabine Wurmehl, Anja Wolter, Bernd Buchner

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Recently, the iridate double perovskite Sr₂YIrO₆ has attracted considerable attention due to the report of unexpected magnetism in this Ir⁵⁺ material, in which according to the Jeff model, a non-magnetic ground state is expected. Structural, magnetic and thermodynamic investigations of Sr₂YIrO₆ and Ba2YIrO6 single crystals, with emphasis on the temperature and magnetic field dependence of the specific heat will be presented. The single crystals were grown by using SrCl₂ and BaCl₂ as flux. Single-crystal X-ray diffraction measurements performed on several crystals from different preparation batches showed a high quality of the crystals, proven by the good internal consistency of the data collected using the full-sphere mode and an extremely low R factor. In agreement with the expected non-magnetic ground state of Ir⁵⁺ (5d4) in these iridates, no magnetic transition is observed down to 430 mK. Moreover, our results suggest that the low-temperature anomaly observed in the specific heat is not related to the onset of long-range magnetic order. Instead, it is identified as a Schottky anomaly caused by paramagnetic impurities present in the sample, of the order of

Keywords: double perovskites, iridates, self-flux grown synthesis, spin-orbit coupling

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Authors: Pravin M. Tirmali, Sagar M. Mane, Snehal L. Kadam, Shriniwas B. Kulkarni

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The La₂NiMnO₆ has been extensively studied for its ferromagnetic and magneto-dielectric properties. The La₂NiMnO₆ double perovskite is modified by partial substitution at B site by Fe transition metal. The La₂Ni₁₋ₓFeₓMnO₆ powder samples were synthesized by hydroxide co-precipitation method. The precipitate was dried and fine griended to form powder and pellet samples (2cm dia.) using hydraulic press. The powder and pellet samples of La₂Ni₁₋ₓFeₓMnO₆ were calcined at high temperature 1200°C to form a pure and stable composition. The nano polar regions (NPR) around Ni²⁺ or Mn⁴⁺ ions due to the cationic antisite disorder gives dielectric relaxation through their mutual interaction. The magneto-dielectric behavior is observed in substituted La₂NiMnO₆ shows Maxwell-Wagner and Debye relaxation due to grain boundary, interface and antisite defects. The magneto-dielectric properties of substituted La₂NiMnO₆ pellet sample were probed by Impedance spectroscopy measurements. The structural and magnetic investigations were also carried out by XRD, FESEM and VSM measurements of substituted La₂NiMnO₆ of powder samples. The synthesized La₂Ni₁₋ₓFeₓMnO₆ powder samples are polycrystalline and ferromagnetic in nature. The La₂Ni₁₋ₓFeₓMnO₆ samples exhibit ferromagnetic disorder with transition temperature near room temperature.

Keywords: La₂NiMnO₆, nano polar regions (NPR), antisite defects, magnetodielctric

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Authors: Karthika Chandran, Pulkit Prakash, Amitabh Das, Santhosh P. N.

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Rare earth orthoferrites (RFeO₃) exhibit interesting and useful magnetic properties like multiferroicity, magnetodielectric coupling, spin reorientation (SR) and exchange bias. B site doped RFeO₃ are attracting attention due to the complex and tuneable magnetic transitions. In this work, 45% Mn-doped HoFeO₃ polycrystalline sample (HoFe₀.₅₅Mn₀.₄₅O₃) was synthesized by a solid-state reaction method. The magnetic structure and transitions were studied by magnetization measurements and neutron powder diffraction methods. The neutron diffraction patterns were taken at 13 different temperatures from 7°K to 300°K (7°K and 25°K to 300°K in 25°K intervals). The Rietveld refinement was carried out by using a FULLPROF suite. The magnetic space groups and the irreducible representations were obtained by SARAh module. The room temperature neutron diffraction refinement results indicate that the sample crystallizes in an orthorhombic perovskite structure with Pnma space group with lattice parameters a = 5.6626(3) Ǻ, b = 7.5241(3) Ǻ and c = 5.2704(2) Ǻ. The temperature dependent magnetization (M-T) studies indicate the presence of two magnetic transitions in the system ( TN Fe/Mn~330°K and TSR Fe/Mn ~290°K). The inverse susceptibility vs. temperature curve shows a linear behavior above 330°K. The Curie-Weiss fit in this region gives negative Curie constant (-34.9°K) indicating the antiferromagnetic nature of the transition. The neutron diffraction refinement results indicate the presence of mixed magnetic phases Γ₄(AₓFᵧG

Keywords: neutron powder diffraction, rare earth orthoferrites, Rietveld analysis, spin reorientation

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Authors: Muhammad Habib, Xuefan Zhou, Lin Tang, Guoliang Xue, Fazli Akram, Dou Zhang

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Defect engineering approach is a well-established approach for the customization of functional properties of perovskite ceramics. In modern technology, the high multiferroic properties for elevated temperature applications are greatly demanding. In this work, the Bi-nonstoichiometric lead-free 0.67Biy-xSmxFeO3-0.33BaTiO3 ceramics (Sm-doped BF-BT for Bi-excess; y = 1.03 and Bi-deficient; y = 0.975 with x = 0.00, 0.04 and 0.08) were design for the high-temperature multiferroic property. Enhanced piezoelectric (d33  250 pC/N and d33* 350 pm/V) and magnetic properties (Mr  0.25 emu/g) with a high Curie temperature (TC  465 ℃) were obtained in the Bi-deficient pure BF-BT ceramics. With Sm-doping (x = 0.04), the TC decrease to 350 ℃ a significant improvement occurred in the d33* to 504 pm/V and 450 pm/V for Bi-excess and Bi-deficient compositions, respectively. The structural origin of the enhanced piezoelectric strain performance is related to the soft ferroelectric effect by Sm-doping and reversible phase transition from the short-range relaxor ferroelectric state to the long-range order under the applied electric field. However, a slight change occurs in the Mr 0.28 emu/g value with Sm-doping for Bi-deficient ceramics, whereas the Bi-excess ceramics shows completely paramagnetic behavior. Hence, the origin of high magnetic properties in the Bi-deficient BF-BT ceramics is mainly attributed to the proposed double exchange mechanism. We believe that this strategy will provide a new perspective for the development of lead-free multiferroic ceramics for high-temperature applications.

Keywords: BiFeO3-BaTiO3, lead-free piezoceramics, magnetic properties, defect engineering

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Authors: C. D’Urso, L. Frusteri, M. Samperi, G. Leonardi

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Solid metal halides are used as active cathode ingredients in the case of Na-NiCl2 batteries that require a fused secondary electrolyte, sodium tetrachloraluminate (NaAlCl4), to facilitate the movement of the Na+ ion into the cathode. The sodium-nickel chloride (Na - NiCl2) battery has been extensively investigated as a promising system for large-scale energy storage applications. The growth of Ni and NaCl particles in the cathodes is one of the most important factors that degrade the performance of the Na-NiCl2 battery. The larger the particles of active ingredients contained in the cathode, the smaller the active surface available for the electrochemical reaction. Therefore, the growth of Ni and NaCl particles can lead to an increase in cell polarization resulting from the reduced active area. A higher current density, a higher state of charge (SOC) at the end of the charge (EOC) and a lower Ni / NaCl ratio are the main parameters that result in the rapid growth of Ni particles. In light of these problems, cathode and chemistry Nano-materials with recognized and well-documented electrochemical functions have been studied and manufactured to simultaneously improve battery performance and develop less expensive and more performing, sustainable and environmentally friendly materials. Starting from the well-known cathodic material (Na-NiCl2), the new electrolytic materials have been prepared on the replacement of nickel with iron (10-90%substitution of Nichel with Iron), to obtain a new material with potential advantages compared to current battery technologies; for example,, (1) lower cost of cathode material compared to state of the art as well as (2) choices of cheaper materials (stainless steels could be used for cell components, including cathode current collectors and cell housings). The study on the particle size of the cathode and the physicochemical characterization of the cathode was carried out in the test cell using, where possible, the GITT method (galvanostatic technique of intermittent titration). Furthermore, the impact of temperature on the different cathode compositions of the positive electrode was studied. Especially the optimum operating temperature is an important parameter of the active material.

Keywords: critical raw materials, energy storage, sodium metal halide, battery

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Authors: M. Mesrar, T. Lamcharfi, Nor-S. Echatoui, F. Abdi

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The solid-state reaction method was used to synthesize ferroelectric systems with lead-free properties, specifically (1-x-y)(Na₀.₅Bi₀.₅)TiO₃-xBaTiO₃-y(K₀.₅ Bi₀.₅)TiO₃. To achieve a pure perovskite phase, the optimal calcination temperature was determined to be 1000°C for 4 hours. X-ray diffraction (XRD) analysis identified the presence of the morphotropic phase boundary (MPB) in the (1-x-y)NBT xBT-yKBT ceramics for specific molar compositions, namely (0.95NBT-0.05BT, 0.84NBT-0.16KBT, and 0.79NBT-0.05BT-0.16KBT). To enhance densification, the sintering temperature was set at 1100°C for 4 hours. Scanning electron microscopy (SEM) images exhibited homogeneous distribution and dense packing of the grains in the ceramics, indicating a uniform microstructure. These materials exhibited favorable characteristics, including high dielectric permittivity, low dielectric loss, and diffused phase transition behavior. The ceramics composed of 0.79NBT-0.05BT-0.16KBT exhibited the highest piezoelectric constant (d33=148 pC/N) and electromechanical coupling factor (kp = 0.292) among all compositions studied. This enhancement in piezoelectric properties can be attributed to the presence of the morphotropic phase boundary (MPB) in the material. This study presents a comprehensive approach to improving the performance of lead-free ferroelectric systems of composition 0.79(Na₀.₅Bi₀.₅)Ti O₃-0.05BaTiO₃-0.16(K₀.₅Bi₀.₅)TiO₃.

Keywords: solid-state method, (1-x-y)NBT-xBT-yKBT, morphotropic phase boundary, Raman spectroscopy, dielectric properties

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Authors: Chongtham Jiten, Radhapiyari Laishram, K. Chandramani Singh

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Alkaline niobate (Na_0.5K_0.5)NbO₃ ceramic system has attracted major attention in view of its potential for replacing the highly toxic but superior lead zirconate titanate (PZT) system for piezoelectric applications. Recently, a more detailed study of this system reveals that the ferroelectric and piezoelectric properties are optimized in the Li- and V-modified system having the composition (K_0.485Na_0.5Li_0.015)(Nb_0.98V_0.02)O₃. In the present work, we further study the pyroelectric behaviour of this composition along with another doped with Mn⁴⁺. So, (K_0.485Na_0.5Li_0.015)(Nb_0.98V_0.02)O₃ + x MnO₂ (x = 0, and 0.01 wt. %) ceramic compositions were synthesized by conventional ceramic processing route. X-ray diffraction study reveals that both the undoped and Mn⁴⁺-doped ceramic samples prepared crystallize into a perovskite structure having orthorhombic symmetry. Dielectric study indicates that Mn⁴⁺ doping has little effect on both the Curie temperature (T_c) and tetragonal-orthorhombic phase transition temperature (T_ot). The bulk density, room-temperature dielectric constant (ε_RT), and room-c The room-temperature coercive field (E_c) is observed to be lower in Mn⁴⁺ doped sample. The detailed analysis of the P-E hysteresis loops over the range of temperature from about room temperature to T_ot points out that enhanced ferroelectric properties exist in this temperature range with better thermal stability for the Mn⁴⁺ doped ceramic. The study reveals that small traces of Mn⁴⁺ can modify (K_0.485Na_0.5Li_0.015)(Nb_0.98V_0.02)O₃ system so as to improve its ferroelectric properties with good thermal stability over a wide range of temperature.

Keywords: ceramics, dielectric properties, ferroelectric properties, lead-free, sintering, thermal stability

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Authors: Saadet Taşyürek Demirel, Halide Sena Koçyiğit, Rümeysa Fatma Çetin

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Celebrity worship, characterized by excessive admiration and devotion towards public figures, often mirrors elements of religious fervor. This study delves into the intricate connection between celebrity worship and religiosity, particularly within the Turkish cultural context, where Islamic values predominantly shape societal norms. The investigation involves the adaptation of the Celebrity Attitude Scale into Turkish and scrutinizes the interplay between young individuals' religiosity and their extreme adulation of celebrities. Additionally, the study explores potential moderating factors, such as age and gender, that might influence this relationship. A cohort of 197 young adults, aged 19 to 30, participated in this research, responding to self-administered questionnaires that assessed their attitudes towards celebrities using the adapted Celebrity Attitude Scale, along with their self-reported religiosity. The anticipated relationship between religiosity and celebrity worship is hypothesized to exhibit a non-linear pattern. Specifically, we expect religiosity to positively predict celebrity worship tendencies among individuals with minimal to moderate religiosity levels. Conversely, a negative association between religiosity and celebrity worship is expected to manifest among participants exhibiting moderate to high levels of religiosity. The findings of this study will contribute to the comprehension of the intricate dynamics between celebrity worship and religiosity, offering insights specifically within the Turkish cultural context. By shedding light on this relationship, the study aims to enhance our understanding of the multifaceted influences that shape individuals' perceptions and behaviors towards both celebrities and religious inclinations. Methodology of the study: A quantitative research will be conducted, where the factor analysis and correlational method will be used. The factor structure of the scale will be determined with exploratory and confirmatory factor analysis. The reliability, internal consistency, Objectives of the study: This study examines the relationship between religiosity and celebrity worship by young adults in the Turkish context. The other aim of the study is to assess the Turkish validity and reliability of the Celebrity Attitude Scale and contribute it to the literature. Main Contributions of the study: The study aims to introduce celebrity worship to Turkish literature, assess the Celebrity Attitude Scale's reliability in a Turkish sample, explore manifestations of celebrity worship, and examine its link to religiosity. This research addresses the lack of Turkish sources on celebrity worship and extends understanding of the concept.

Keywords: celebrity, worship, religiosity, god

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Authors: Chongtham Jiten, K. Chandramani Singh, Radhapiyari Laishram

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Nanocrystalline powders of the lead-free piezoelectric material, tantalum-substituted potassium sodium niobate (K0.5Na0.5)(Nb0.9Ta0.1)O3 (KNNT), were produced using a Retsch PM100 planetary ball mill by setting the milling time to 15h, 20h, 25h, 30h, 35h and 40h, at a fixed speed of 250rpm. The average particle size of the milled powders was found to decrease from 12nm to 3nm as the milling time increases from 15h to 25h, which is in agreement with the existing theoretical model. An anomalous increase to 98nm and then a drop to 3nm in the particle size were observed as the milling time further increases to 30h and 40h respectively. Various sizes of these starting KNNT powders were used to investigate the effect of milling time on the microstructure, dielectric properties, phase transitions and piezoelectric properties of the resulting KNNT ceramics. The particle size of starting KNNT was somewhat proportional to the grain size. As the milling time increases from 15h to 25h, the resulting ceramics exhibit enhancement in the values of relative density from 94.8% to 95.8%, room temperature dielectric constant (εRT) from 878 to 1213, and piezoelectric charge coefficient (d33) from 108pC/N to 128pC/N. For this range of ceramic samples, grain size refinement suppresses the maximum dielectric constant (εmax), shifts the Curie temperature (Tc) to a lower temperature and the orthorhombic-tetragonal phase transition (Tot) to a higher temperature. Further increase of milling time from 25h to 40h produces a gradual degradation in the values of relative density, εRT, and d33 of the resulting ceramics.

Keywords: perovskite, dielectric, ceramics, high-energy milling

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Authors: Jun-Lun Jiang, Bing-Sheng Yu

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Processing of flat-panel displays generates huge amount of wasted glass polishing powder, with high concentration of cerium and other elements such as lanthanum. According to the current statistics, consumption of polishing powder was approximately ten thousand tons per year in the world. Nevertheless, wasted polishing powder was usually buried or burned. If the lanthanum and cerium compounds in the wasted polishing powder could be recycled, that will greatly reduce enterprise cost and implement waste circulation. Cathodes of SOFCs are the principal consisting of rare earth elements such as lanthanum and cerium. In this study, we recycled the lanthanum and cerium from wasted glass polishing powder by acid-solution method, and synthesized La0.8Sr0.05Ca0.15Fe0.8Co0.8O3-δ and Gd0.1Ce0.9O2 (LSCCF-GDC) composite cathode material for SOFCs by glycinenitrate combustion (GNP) method. The results show that the recovery rates of lanthanum and cerium could accomplish up to 80% and 100% under 10N nitric acid solution within one hour. Comparing with the XRD data of the commercial LSCCF-GDC powder and the LSCCF-GDC product synthesized with chemicals, we find that the LSCCF-GDC was successfully synthesized with the recycled La & Ce solution by GNP method. The effect of adding ammonia to the product was also discussed, the grain size is finer and recovery rate of the product is higher without the addition of ammonia to the solution.

Keywords: glass polishing powder, acid solution, recycling, composite cathodes of solid oxide fuel, cell (SOFC), perovskite, glycine-nitrate combustion(GNP) method

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Authors: Xianglei Yin, Shen Wang, Baoyi Wang, Laihong Shen

Abstract:

Chemical looping partial oxidation of methane (CLPOM) is a novel technology to produce high-quality syngas with an auto-thermic process and low equipment investment. The development of oxygen carriers is important for the improvement of the CLPOM performance. In this work, the effect of the nickel-substitution proportion on the performance of LaMn₁₋ᵧNiᵧO₃₊δ perovskites for CLPOM was studied in the aspect of reactivity, syngas selectivity, resistance towards carbon deposition and thermal stability in cyclic redox process. The LaMn₁₋ₓNiₓO₃ perovskite oxides with x = 0, 0.1, 0.2 were prepared by the sol-gel method. The performance of LaMn₁₋ᵧNiᵧO₃₊δ perovskites for CLPOM was investigated through the characterization of XRD, H₂-TPR, XPS, and fixed-bed experiments. The characterization and test results suggest that the doping of nickel enhances the generation rate of syngas, leading to high syngas yield, methane conversion, and syngas selectivity. This is attributed to the that the introduction of nickel provides active sites to promote the methane activation on the surface and causes the addition of oxygen vacancies to accelerate the migration of oxygen anion in the bulk of oxygen carrier particles. On the other hand, the introduction of nickel causes carbon deposition to occur earlier. The best substitution proportion of nickel is y=0.1 and LaMn₀.₉Ni₀.₁O₃₊δ could produce high-quality syngas with a yield of 3.54 mmol·g⁻¹, methane conversion of 80.7%, and CO selectivity of 84.8% at 850℃. In addition, the LaMn₀.₉Ni₀.₁O₃₊δ oxygen carrier exhibits superior and stable performance in the cyclic redox process.

Keywords: chemical looping partial oxidation of methane, LaMnO₃₊δ, Ni doping, syngas, carbon deposition

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Authors: Hamza Ouachtouk, Amine Harbi, Said Azerblou, Youssef Naimi, El Mostafa Tace

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This study delves into the structural, vibrational, magnetic, and electronic properties of La₂MMnO₆ double perovskites, where M denotes Ni, Co, and Zn. Recognized for their versatile ionic configurations within the A and B sub-lattices, double perovskite oxides have attracted considerable interest due to their extensive array of physical properties, which include multiferroic behavior, colossal magnetoresistance, and ferroelectric/piezoelectric functionalities. These materials are pivotal for energy-related technologies like solid oxide fuel cells and water-splitting catalysis, attributed to their superior oxygen ion transport and storage capabilities. This research places particular emphasis on La₂NiMnO₆ and La₂CoMnO₆, known for their distinct magnetic, electric, and multiferroic properties, and extends the investigation to La₂ZnMnO₆, synthesized via high-temperature solid-state chemistry. This addition aims to ascertain the impact of zinc substitution on these properties. Structural analysis through X-ray diffraction has confirmed a monoclinic structure within the P2₁/n space group. Comprehensive vibrational studies utilizing infrared and Raman spectroscopy, alongside additional XRD assessments, provide a detailed examination of the dynamic and electronic behaviors of these compounds. The results underscore the significant role of chemical composition in modulating their functional properties. Comparatively, this study highlights that zinc substitution notably alters the electronic and magnetic responses, which could enhance the applicability of these materials in advanced energy technologies. This expanded analysis not only reinforces our understanding of La₂MMnO₆'s physical characteristics but also highlights its potential applications in the next generation of energy solutions.

Keywords: double perovskites, structural analysis, vibrational spectroscopy, magnetic properties, electronic properties, high-temperature solid-state chemistry, La₂MMnO₆, monoclinic structure, x-ray diffraction

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