New Publications

Structural, electronic, and optical properties of ferroelectric hybrid (Me2NH2)[NaFe(CN)5(NO)] crystal: Density functional theory simulation

Svetlana Krylova, Wei-Jian Xu, Joao Rocha, Andrei Kholkin// Materials Today Communications//

https://doi.org/10.1016/j.mtcomm.2024.109623

Utilizing density functional theory (DFT), we embarked on a comprehensive investigation of the structural, electronic, and optical properties characteristic of the ferroelectric hybrid (Me2NH2)[NaFe(CN)5(NO)] crystal. The geometry of the crystal structure in the ���21 phase was optimized. We simulated the electronic band structure within the first Brillouin zone. The calculated band gap for the indirect U-X transition is 2.401 eV, indicative of a wide band gap semiconductors. We also simulated the density of electronic states across the Brillouin zone. The simulation of the electronic structure revealed that the crystal comprises both ionic and covalent bonds. We accurately predicted various optical parameters including the dielectric function, conductivity, reflectivity, loss function, absorption, and refractive index. The reflectivity of the crystal does not exceed 21 percent. All calculated optical properties of the (Me2NH2)[NaFe(CN)5(NO)] crystal are anisotropic.

Unique features of plasmonic absorption in ultrafine metal nanoparticles: unity and rivalry of volumetric compression and spill-out effect

Daniil Khrennikov ORCID logo , Victor Labuntsov , Konstantin Ladutenko ORCID logo , Ivan Terekhov ORCID logo , Andrey Bogdanov ORCID logo , Hans Ågren ORCID logo EMAIL logo and Sergey Karpov // Nanophotonics//

https://doi.org/10.1515/nanoph-2024-0475

We present a solution to a longstanding challenge in nanoplasmonics and colloid chemistry: the anomalous optical absorption of noble metal nanoparticles in the ultrafine size range of 2.5–10 nm, characterized by a rapid long-wavelength shift in plasmon resonance as the particle size increases. Our investigation delves into the impact of alterations in electron density along the radial direction of nanoparticles and the resulting variations in dielectric constants on the spectral positioning of the plasmon resonance. We explore the interplay of the spill-out effect, volumetric compression, and their combined impact in different experimental conditions on electron density variation within the particle volume and its blurring at the particle boundary. The latter effectively forms a surface layer with altered dielectric constants and a size-independent extent. As particle size decreases, the influence of the surface layer becomes more pronounced, especially when its extent is comparable to the particle radius. These findings are specific to ultrafine plasmonic nanoparticles and highlight their unique properties.

Selective Plasmonic Responses of Chiral Metamirrors

Li, C.-R., Liao, Y.-W., Bikbaev, R.G., (...), Timofeev, I.V., Chen, K.-P.// Nanomaterials//

https://doi.org/10.3390/nano14211705

The properties of circularly polarized light has recently been used to selectively reflect chiral metasurfaces. Here we report the more complete basic functionalities of reflectors and absorbers that display various optical phenomena under circularly polarized light at normal incidence as before. For the chiral metamirrors we designed, the circular dichroism in about 0.4 reflection is experimentally observed in visible wavelengths. The experimental results also show high reflectance for right-handed circular polarization with preserved handedness and strongly absorbed left-handed circular polarization at chiroptical resonant wavelengths. By combining a nanobrick and wire grating for our design, we find and offer a new structure to demonstrate the superposition concept of the phase in the same plane that is helpful in effectively designing chiral metamirrors, and could advance development of their ultracompact optical components.

Adjustable active–passive dual-frequency liquid crystal smart window based on thermally responsive chiral molecules

Lu, Z.-W., Zyryanov, V.Y., Lee, W.// Journal of Molecular Liquids//

https://doi.org/10.1016/j.molliq.2024.126383

We present a cholesteric liquid crystal (CLC) smart window with both passive and active control mechanisms, capable of reversible thermo-optical switching from high-transmission to low-transmission states as the temperature increases. By incorporating a mixture of a thermoresponsive chiral dopant and a left-handed chiral dopant into dual-frequency liquid crystal (DFLC), we have produced thermosensitive CLC that exhibit weak left-handed chirality at low temperature and enhanced left-handed chirality at rising temperature. This change in chirality strength results in increasing thickness-to-pitch ratio as the ambient temperature increases, transforming the CLC texture from the homeotropic to fingerprint state. Additionally, we doped a dichroic dye into the thermosensitive CLC to promote the contrast ratio between the high-transmission homeotropic and low-transmission fingerprint optical textures. Simultaneously, dielectric anisotropy in the host DFLC at different frequencies allows for adjustable switching temperature and varying transparency level. This advancement in smart window technology offers more control options and holds significant potential for practical applications.

Magnetic circular dichroism of f-f electron transitions in Ho3+ and Nd3+ ions in antiferromagnetic crystal Ho0.75Nd0.25Fe3(BO3)4 in the region of spin-reorientation transition

Malakhovskii, A.V., Sokolov, V.V., Sukhachev, A.L., Gudim, I.A.// Journal of Magnetism and Magnetic Materials//

https://doi.org/10.1016/j.jmmm.2024.172613

Absorption and magnetic circular dichroism (MCD) spectra have been studied in the region of 5I8 → 5F25S25F3, and 5F5 absorption bands of the Ho3+ ion and in the region of 4I9/24G7/22K13/24S3/24F7/24F5/2 and 2H9/2 absorption bands of the Nd3+ ion in an antiferromagnetic trigonal crystal Ho0.75Nd0.25Fe3(BO3)4 in the temperature range from 5 to 90 K. A qualitative change in the shape of the MCD spectra of Ho3+ ion was revealed during the spin-reorientation transition at TR = 6.9 К. Below TR, in the easy-axis state of the crystal, the MCD spectrum has a shape typical for paramagnets, i.e., it consists of diamagnetic and paramagnetic parts. Just above TR, in the easy-plane state of the crystal, MCD of Ho3+ ion has a spectrum similar to the absorption spectrum, which is typical for the paramagnetic part of the MCD. It was shown, that in the easy-plane state the exchange field of iron, being perpendicular to the external field directed along the C3 axis, quenches the usual paramagnetic and diamagnetic MCD in Ho3+ ion, but creates a condition for the appearance of a large paramagnetic MCD of mixing (B-term). With temperature increasing, the MCD spectrum of Ho3+ ion gradually turns into a spectrum typical for paramagnets with the predominance of the sign-changing diamagnetic part, because the influence of the exchange field decreases. The shape of the MCD spectra of Nd3+ ions are typical for paramagnets but does not change during the reorientation transition in the rest of the crystal. This means that the magnetic moment of the Nd3+ ion does not make a reorientation transition simultaneously with the Fe3+ and Ho3+ ions of the rest of the crystal. This phenomenon is accounted for by a strong local magnetic anisotropy of the Nd3+ ion and by a weak exchange interaction Fe-Nd, which is not enough for rotation of the Nd3+ ion moment synchronously with that of the Fe3+ ion. The magneto-optical properties of neodymium are controlled by the easy-axis anisotropy of neodymium.

High sensitivity to the electric field of both the phase transition temperature and the electrocaloric effect in ferroelectric NH4HSeO4

Bondarev, V.S., Mikhaleva, E.A., Gorev, M.V., Flerov, I.N.// Solid State Communications//

https://doi.org/10.1016/j.ssc.2024.115747

The effect of an electric field on thermal and dielectric properties as well as electrocaloric response in the ferroelectric NH4HSeO4 has been studied using a universal multifunctional adiabatic calorimeter. The phase transition temperature between the ferroelectric and incommensurate phases is found to be highly sensitive to the electric field, dT2/dE ≈ 1.6 K/(kV/cm), at a low electric field strength. The intensive electrocaloric effect at E = 1.35 kV/cm observed by direct measurements, ΔTAD ≈ 0.045 K, as well as determined indirectly by analyzing the entropy-temperature-electric field phase diagram, ΔTAD ≈ 0.03 K, is quite large compared to the effects in other ferroelectrics.

Magnetic properties of [(CoP)soft/(NiP)am/(CoP)hard/(NiP)am]n superlattices

Patrin, G., Orlov, V., Shiyan, Y.// Physica B: Condensed Matter//

https://doi.org/10.1016/j.physb.2024.416664

We report on the results of experimental and theoretical studies of magnetic superlattices [(CoP)soft/(NiP)am/(CoP)hard/(NiP)am]n (n = 1, 5, 10, 15, 20, 40, tCoP = 5 nm, tNiP = 2 nm) produced by electroless deposition method. Cross-section electron microscopy image shows the layers do not mix and the interfaces between the layers are not blurred. We found the behavior of the magnetic hysteresis loops is similar to the exchange spring. Three peaks of microwave absorption are observed in the electron magnetic resonance spectra. To explain this, a model of a three-sublattice magnet with long-range interlayer interaction due to magnetic proximity effect is proposed. A perpendicular magnetic anisotropy is formed at the interface between the magnetic and non-magnetic layers. The interlayer interaction between the nearest magnetically soft and hard (J1) layers is found to be negative, the interaction between magnetically soft layers (J2) is positive, while J1 is about an order of magnitude greater than J2.

Improving of thermoelectric figure of merit in Sr0.925Dy0.075TiO3 ceramics

Dudnikov, V. A.; Orlov, Yu. S.; Vereshchagin, S. N.; Belov, A. A.; Solovyov, L. A.; Borus, A. A.; Zharkov, S. M.; Zeer, G. M.; Ustyuzhanin, Yu. N.; Volochaev, M. N.; et al// Ceramics International //

https://doi.org/10.1016/j.ceramint.2024.10.351

Rare earth doped SrTiO3 is one of the most promising oxide materials meeting the safety and stability requirements for potential applications in thermoelectric converters. This work aims to assess the feasibility of engineering SrTiO3-based materials to improve their thermoelectric performance. A comparative analysis of the thermoelectric properties of Sr0.925Dy0.075TiO3 ceramic samples obtained from preliminarily mechanically activated Sr0.925Dy0.075TiO3 nano-powder by two methods – solid-state reaction synthesis and spark plasma sintering – was carried out. Significant differences in the morphology of the samples lead to significant differences in the temperature dependences of electrical resistivity and the Seebeck coefficient. Ceramics obtained by solid-state reaction synthesis exhibit lower porosity and lower electrical resistivity. The thermoelectric power factor of such ceramics is 2–3 times higher than that of samples obtained by spark plasma sintering. The obtained value of thermoelectric figure of merit ZT = 0.41 at T = 673 K for Sr0.925Dy0.075TiO3 is the highest value among n-type oxide thermoelectric ceramics at a given temperature and maintains a tendency to increase with increasing temperature.

Tailoring of Ultrasmall NiMnO3 Nanoparticles: Optimizing Synthesis Conditions and Solvent Effects

By: Saikova, Svetlana; Nemkova, Diana; Krolikov, Anton; Pavlikov, Aleksandr; Volochaev, Mikhail; Samoilo, Aleksandr; Ivanenko, Timur; Kuklin, Artem// Molecules//

https://doi.org/10.3390/molecules29204846

Nickel manganese oxide (NiMnO3) combines magnetic and dielectric properties, making it a promising material for sensor and supercapacitor applications, as well as for catalytic water splitting. The efficiency of its utilization is notably influenced by particle size. In this study, we investigate the influence of thermal treatment parameters on the phase composition of products from alkali co-precipitation of nickel and manganese (II) ions and identify optimal conditions for synthesizing phase-pure nickel manganese oxide. Ultrafine nanoparticles of NiMnO3 (with sizes as small as 2 nm) are obtained via liquid-phase ultrasonic dispersion, exhibiting a narrow size distribution. A systematic exploration of the solvent nature (water, N-methyl-2-pyrrolidone, dimethyl sulfoxide, dimethylformamide) on the efficiency of ultrasonic dispersion of NiMnO3 nanoparticles is provided. It is demonstrated that particle size is influenced not only by absorbed acoustic power, dependent on the physical properties of the used solvent (boiling temperature, gas solubility, viscosity, density) but also by the chemical stability of the solvent under prolonged ultrasonic treatment. Our findings provide insights for designing ultrasonic treatment protocols for nanoparticle dispersions with tailored particle sizes

Liquid Crystals in Reconfigurable Reflectarray Antennas for Sub-Millimeter Waves

Dayan Pérez-Quintana; Erik Aguirre; Eduardo Olariaga; Sergei A. Kuznetsov; Valeri I. Lapanik; Vitaly S. Sutormin// 2024 Ieee Inc-usnc-ursi Radio Science Meeting//

DOI: 10.23919/INC-USNC-URSI61303.2024.10632342

Accelerated technological progress responds to the dynamic evolution of wireless communication systems, fueled by the advent of 5G, the emergence of 6G, and the pervasive integration of the IoT paradigm. Smart antennas play a pivotal role in this advancement, facilitating electronic beam steering to meet escalating demands for enhanced bandwidth and elevated operating frequencies. The spotlight shifts to reconfigurable reflectarray antennas, gaining prominence over conventional phased arrays. Notably, liquid crystals (LCs) emerge as a promising avenue for creating electronically reconfigurable/switchable reflectarrays, specifically tailored for short millimeter and terahertz waves. LCs, as a unique aggregate state combining solid and liquid features, address current technology limitations. Their uniaxial nature and the ability to manipulate molecule orientation enable effective fine-tuning of dielectric permittivity without drawbacks present in existing technologies.

Development of composite ultrafiltration membrane from fly ash microspheres and alumina nanofibers for efficient dye removal from aqueous solutions

Fadeeva, N.P., Volkova, I.R., Kharchenko, I.A., (...), Ivanets, A.I., Ryzhkov, I.I.// Ceramics International//

https://doi.org/10.1016/j.ceramint.2024.10.141

In this work, a novel type of ultrafiltration ceramic membranes with the support based on fine fly ash microspheres and selective layer based on the alumina nanofibers with an aluminosilicate binder is proposed. The average pore sizes of the support and selective layer are 0.46 μm and 29 nm, respectively. The membrane is characterized by the compressive strength of 96 MPa and water permeability of 207 L m−2 h−1 bar−1. It is shown that the binder provides structural stability of selective layer and adhesion to the support. With increasing the binder content, the water permeability increases, reaches maximum, and then slightly decreases. The developed membranes are used for ultrafiltration of Blue Dextran dyes aqueous solutions with molecular weights of 70 kDa and 500 kDa and concentrations of 50 and 100 mg/L. The dyes rejection varies in the range 97–99 %, while the permeate flux is 100–140 L m−2 h−1 at the transmembrane pressure of 4 bars. The dye retention occurs via adsorption at the initial stage, which leads to the narrowing of pore size. Further, the dye filtration proceeds mainly due to size effects. The proposed membranes can be employed for dye removal from wastewater, and also allow chemical modification by carbon coating to be employed in electrochemically assisted ultrafiltration. The developed methodology promotes the recycling of thermal energy waste and introduces novel approaches to combine waste and synthesized raw materials in the production of low-cost ceramic membranes.

Synthesis and investigation of the structure, thermal and electrical properties of new Tl5-xKxLuZr(MoO4)6 (x = 0; 0.1; 0.2; 1; 2) molybdates

Grossman, V.G., Molokeev, M.S., Bazarov, B.G.// Solid State Sciences//

https://doi.org/10.1016/j.solidstatesciences.2024.107725

The traditional solid-state synthesizing method was employed to prepare Tl5-xKxLuZr(MoO4)6 (x = 0; 0.1; 0.2; 1; 2) ceramics. Structural characterization was performed through the Rietveld method on the X-ray powder diffraction data. The unit cell parameters are defined for Tl5-xKxLuZr(MoO4)6 (x = 0; 0.1; 0.2; 1; 2). Impedance spectra were measured at temperatures ranging from 300 to 800 K, covering a frequency range of 1 Hz to 1 MHz. The results show that the electrical conductivity decreases with an incrementing in the x value in the range of x = 0.1–2.0. Tl4.9K0.1LuZr(MoO4)6 has the best ionic conductivity of this series of molybdates (1.31 × 10−3 S cm−1), and Tl5LuZr(MoO4)6 has the lowest conductivity (5.51 × 10−4 S cm−1). Activation energy was found out to decrease from 1.32 eV for Tl5LuZr(MoO4)6 to 0.92 eV for Tl4.9K0.1LuZr(MoO4)6.

Dynamic Phosphorescence/Fluorescence Switching in Hybrid Metal Halides Toward Time-Resolved Multi-Level Anti-Counterfeiting

Zhou, G., Mao, Y., Zhang, J., (...), Xia, Z., Zhang, X.-M.// Advanced Functional Materials//

https://doi.org/10.1002/adfm.202413524

Hybrid metal halides (HMHs) with time-resolved luminescence behavior promise to be a breakthrough in multi-level anti-counterfeiting, but controlling the dynamic switching between phosphorescence and fluorescence is extremely challenging. Herein, an array of 0D HMHs is constructed by screening the π-conjugated ligand with room-temperature phosphorescence (RTP). Compared to the organic chromophore, (ETPP)2ZrCl6 possesses a misaligned stacking and rigid structure, contributing to an improved phosphorescence quantum yield (ΦP = 27.50%) and an extended phosphorescence lifetime (τ = 0.6234 s), as the intervening of inorganic unit [ZrCl6]2− suppresses the energy losses caused by nonradiative relaxation and prompts the intersystem crossover (ISC) process. Not only that, the interplay of phosphorescence-fluorescence dual-mode emission can be intelligently controlled by doping the active metal Te4+, resulting in a dynamic switching between RTP phosphorescence and self-trapped exciton (STE) fluorescence. DFT calculations reveal the governing origins of RTP-STE from the intermolecular ISC channels and spin-orbit coupling (SOC) coefficients. These precise images into periodic pixelated arrays enable the multi-level anti-counterfeiting and information encryption. This work proposes a fluorescence-phosphorescence co-modulating strategy under the premise of dissecting the structural origins for optimizing RTP phosphorescence, which paves the way for designing high-security-level anti-counterfeiting materials.

Effects of Magnetostatic Interactions in FeNi-Based Multilayered Magnetoimpedance Elements

Melnikov, G.Y., Komogortsev, S.V., Svalov, A.V., (...), Vazhenina, I.G., Kurlyandskaya, G.V.// Sensors//

https://doi.org/10.3390/s24196308

Multilayered [Cu(3 nm)/FeNi(100 nm)]5/Cu(150 nm)/FeNi(10 nm)/Cu(150 nm)/FeNi(10 nm)/Cu(150 nm)/[Cu(3 nm)/FeNi(100 nm)]5 structures were obtained by using the magnetron sputtering technique in the external in-plane magnetic field. From these, multilayer magnetoimpedance elements were fabricated in the shape of elongated stripes using the lift-off lithographic process. In order to obtain maximum magnetoimpedance (MI) sensitivity with respect to the external magnetic field, the short side of the rectangular element was oriented along the direction of the technological magnetic field applied during the multilayered structure deposition. MI sensitivity was defined as the change of the total impedance or its real part per unit of the magnetic field. The design of the elements (multilayered structure, shape of the element, etc.) contributed to the dynamic and static magnetic properties. The magnetostatic properties of the MI elements, including analysis of the magnetic domain structure, indicated the crucial importance of magnetostatic interactions between FeNi magnetic layers in the analyzed [Cu(3 nm)/FeNi(100 nm)]5 multilayers. In addition, the uniformity of the magnetic parameters was defined by the advanced technique of the local measurements of the ferromagnetic resonance field. Dynamic methods allowed investigation of the elements at different thicknesses by varying the frequency of the electromagnetic excitation. The maximum sensitivity of 40%/Oe with respect to the applied field in the range of the fields of 3 Oe to 5 Oe is promising for different applications.

Physicochemical, mechanical properties, and biodegradation studies of poly(3-hydroxybutyrate) composites reinforced with bacterial nanocellulose or wood flour

Kiselev, E.G., Demidenko, A.V., Sukovatyi, A.G., (...), Ermolin, V.N., Volova, T.G.// Cellulose//

https://doi.org/10.1007/s10570-024-06212-0

The results of the study of plastic composites from degradable poly(3-hydroxybutyrate) P(3HB) and cellulose-containing natural materials of various origins are presented. For the first time, P(3HB) composites filled with bacterial nanocellulose (BNC) or wood (Pinus sibirica) flour (WF) were produced by melt pressing at 170 °C and 2000 Pa. The influence of the filler type and amount (30, 40, 50, 70 and 90 wt%) on the physicochemical and mechanical properties of the composites and their degradability in soil laboratory microcosms was revealed. The P(3HB)/WF composites compared with P(3HB)/BNC ones were thermally stable; their thermal degradation temperatures were 266 and 227 °C, respectively. Both composites had lower values of Young's modulus and fracture strength compared to P(3HB). As BNC content was increased, Young's modulus and fracture strength of the composites increased from 1831 to 14 MPa to 3049 and 19 MPa, in contrast to P(3HB)/WF, where the values decreased by a factor of 1.5–2.0. The half-life of composites with BNC and WF in soil was 180 and 220 days, respectively. Changes in the structure of the microbial community were determined as depending on the filler type; primary destructors among bacteria and fungi were isolated and identified. Environmentally friendly and completely degradable composites show promise as cellulose-plastic materials for practical application.

Measuring Biophysical Parameters of Wheat Canopy with MHz- and GHz-Frequency Range Impulses Employing Contactless GPR

Muzalevskiy, K., Fomin, S., Karavayskiy, A., (...), Lipshin, A., Romanov, V.// Remote Sensing//

https://doi.org/10.3390/rs16193547

In this paper, the advantages of the joint use of MHz- and GHz-frequency band impulses when employing contactless ground penetration radar (GPR) for the remote sensing of biomass, the height of the wheat canopy, and underlying soil moisture were experimentally investigated. A MHz-frequency band nanosecond impulse with a duration of 1.2 ns (average frequency of 750 MHz and spectrum bandwidth of 580 MHz, at a level of –6 dB) was emitted and received by a GPR OKO-3 equipped with an AB-900 M3 antenna unit. A GHz-frequency band sub-nanosecond impulse with a duration of 0.5 ns (average frequency of 3.2 GHz and spectral bandwidth of 1.36 GHz, at a level of −6 dB) was generated using a horn antenna and a Keysight FieldFox N9917B 18 GHz vector network analyzer. It has been shown that changes in the relative amplitudes and time delays of nanosecond impulses, reflected from a soil surface covered with wheat at a height from 0 to 87 cm and fresh above-ground biomass (AGB) from 0 to 1.5 kg/m2, do not exceed 6% and 0.09 ns, respectively. GPR nanosecond impulses reflected/scattered by the wheat canopy have not been detected. In this research, sub-nanosecond impulses reflected/scattered by the wheat canopy have been confidently identified and make it possible to measure the wheat height (fresh AGB up to 2.3 kg/m2 and height up to 104 cm) with a determination coefficient (R2) of ~0.99 and a bias of ~−7 cm, as well as fresh AGB where R2 = 0.97, with a bias = −0.09 kg/m2, and a root-mean-square error of 0.1 kg/m2. The joint use of impulses in two different MHz- and GHz-frequency bands will, in the future, make it possible to create UAV-based reflectometers for simultaneously mapping the soil moisture, height, and biomass of vegetation for precision farming systems.

Local symmetry distortions during f-f transitions in HoAl3(BO3)4 single crystal

Sokolov, V.V., Malakhovskii, A.V., Gudim, I.A.// Optical Materials//

https://doi.org/10.1016/j.optmat.2024.116247

The polarized absorption spectra of the HoAl3(BO3)4 single crystal were studied in the region of f–f transitions 5I85F55S2 + 5F45F3 and 5F2 inside the 4f shell of the holmium ion as a function of temperature in the range of 5–90 K. In a number of absorption lines the splitting which are not provided by the local point group D3 symmetry of holmium ion in the crystal are found. This phenomenon is explained by local changes in the structure in both the excited and ground states of holmium under the influence of a perturbation caused by a photon. This perturbation mixes the ground and excited states and changes the interaction of the atom with its environment. It was also shown that the magnitude of the splitting depends on the polarization of the incident light and on the temperature of the sample.

Lattice dynamics of the BaMg1/3Ta2/3O3 complex perovskite: DFT calculation and Raman spectroscopy

Krylova, S.; Popova, E.; Kitaev, Yu.; Lushnikov, S.// Ferroelectrics//

https://doi.org/10.1080/00150193.2024.2305092

The article presents the results of studies of theBaMg1/3Ta2/3O3 (BMT) complex perovskite crystal using Raman spectroscopy and density functional theory (DFT) calculation. The polarized Raman spectra of a cubic BMT single crystal are obtained in two different geometries in a broad temperature range (5–580 K). The density functional theory calculations of the lattice dynamics and vibrational spectra of the BMT crystal in the Г point of the trigonal phase are carried out. The simulated Raman spectra are analyzed in comparison with the experimental spectra of cubic single crystals and those of ceramics in the trigonal phase. The Raman spectra peculiarities are observed and explained.

Electronic properties of the barium magnesium tantalate

Krylova, S.; Kitaev, Yu.; Lushnikov, S.// Ferroelectrics//

https://doi.org/10.1080/00150193.2024.2305091

BaMg1/3Ta2/3O3 (BMT) crystals belong to the family of complex perovskites and are well known for their excellent microwave dielectric properties. In this work, structural optimization of the lattice parameters was performed. Electron density functional theory calculations of the electronic band structure of BMT crystal of the trigonal phase were carried out along Г–A–K–M–L directions of the Brillouin zone. The calculated band gap energy was 3.554 eV. The partial density of states of BMT crystal in P-3 m1 phase was simulated. Top of the valence band was formed by 2p-states of O and bottom of the conduction band – by 5d-states of Ta.

Effects of Magnetostatic Interactions in FeNi-Based Multilayered Magnetoimpedance Elements

Melnikov, Grigory Yu; Komogortsev, Sergey V; Svalov, Andrey V; Gorchakovskiy, Alexander A; Vazhenina, Irina G; Kurlyandskaya, Galina V// Sensors//

https://doi.org/10.3390/s24196308

Multilayered [Cu(3 nm)/FeNi(100 nm)]5/Cu(150 nm)/FeNi(10 nm)/Cu(150 nm)/FeNi(10 nm)/Cu(150 nm)/[Cu(3 nm)/FeNi(100 nm)]5 structures were obtained by using the magnetron sputtering technique in the external in-plane magnetic field. From these, multilayer magnetoimpedance elements were fabricated in the shape of elongated stripes using the lift-off lithographic process. In order to obtain maximum magnetoimpedance (MI) sensitivity with respect to the external magnetic field, the short side of the rectangular element was oriented along the direction of the technological magnetic field applied during the multilayered structure deposition. MI sensitivity was defined as the change of the total impedance or its real part per unit of the magnetic field. The design of the elements (multilayered structure, shape of the element, etc.) contributed to the dynamic and static magnetic properties. The magnetostatic properties of the MI elements, including analysis of the magnetic domain structure, indicated the crucial importance of magnetostatic interactions between FeNi magnetic layers in the analyzed [Cu(3 nm)/FeNi(100 nm)]5 multilayers. In addition, the uniformity of the magnetic parameters was defined by the advanced technique of the local measurements of the ferromagnetic resonance field. Dynamic methods allowed investigation of the elements at different thicknesses by varying the frequency of the electromagnetic excitation. The maximum sensitivity of 40%/Oe with respect to the applied field in the range of the fields of 3 Oe to 5 Oe is promising for different applications.

Enhanced electric breakdown strength and excellent storing density in BaTiO3-based ceramic in viscous polymer processing

Zhao, X., He, M., Zeng, X., (...), Zhang, H., Liu, G.// Journal of the American Ceramic Society//

https://doi.org/10.1111/jace.20155

Despite being the key component in modern electronic devices or power systems, ceramic dielectric capacitors have drawbacks like low energy storage density and efficiency that limit their extensively wide application. This work adopted a different route to improve energy storage performance compared with the frequently utilized composition modification. 0.98Ba0.65Sr0.245Bi0.07TiO3-0.02Ce Pb-free ceramics with different polyvinyl alcohol (PVA) contents were prepared through viscous polymer processing. The rheological and energy-storing performance were systematically studied. It can be seen that high PVA content results in more pores and larger grain sizes that will deteriorate the breakdown strength of ceramics. The highest breakdown strength reached 420 kV/cm while the concentration of PVA was 5 wt%. The mechanism of grain sizes on breakdown strength is studied by electrical tree simulation based on COMSOL. Viscous polymer processing with proper PVA content is very effective in generating dense and homogenous structures. Finally, the ceramic with 5 wt% PVA possesses a high density of up to 4.41 J/cm3 and an efficiency of about 84.21% at 420 kV/cm. Simultaneously, this ceramic improved stability of both temperature (30–150°C) and frequency (1–300 Hz) at 350 kV/cm, while the η kept above 90% and Wrec exceeding 3.6 J/cm3.

Interaction of a UWB impulse with a layer of sandy soil, having a rough upper boundary

Muzalevskiy, K., Fomin, S.// International Journal of Remote Sensing//

https://doi.org/10.1080/01431161.2024.2408036

In this paper, the changes in the character of time shapes, amplitudes, frequency spectra, and time delay of ultra-wideband (UWB) impulses (duration of 0.33 ns) reflected from the layer of wet sand with a rough upper boundary were investigated. It was shown that the attenuation of UWB impulse amplitude, which is reflected from the upper rough boundary of the sand layer, can be described by the model of Fresnel reflection coefficient for a smooth surface using the Gaussian correction factor (FRGC). At this root-mean-square (RMS), height of soil surface roughness was in the range of ~0–21 mm, but the determination coefficient and RMS error (RMSE) were found to be equal to 0.94 and 0.02, respectively. An experiment close to linear increase/decrease in the propagation time of impulses reflected from the upper/lower boundary of the layer, respectively, was found with increasing the RMS heights of upper boundary. It is shown that the propagation time of such impulses can be described by the modified FRGC model with an error from RMSE = 0.09 ns to RMSE = 0.15 ns. The results of these findings are of practical importance for the interpretation of remote sensing data for precise soil moisture measurements from unmanned aerial vehicle platforms using UWB impulses.

Magnetically dead layer in interacting ultrafine NiFe2O4 nanoparticles

Knyazev, Yu. V.; Balaev, D. A.; Stolyar, S. V.; Shokhrina, A. O.; Velikanov, D. A.; Pankrats, A. I.; Vorotynov, A. M.; Krasikov, A. A.; Skorobogatov, S. A.; Volochaev, M. N.; et al// arXiv.org, e-Print Archive, Condensed Matter (2024)//

https://doi.org/10.48550/arXiv.2408.16203

The relation of the magnetically dead layer and structural defects in ultrafine interacting NiFe2O4 nanoparticles (<d> = 4 nm) have been investigated using transmission electron microscopy, X-ray diffraction, ^57Fe Mössbauer spectroscopy, and dc magnetization and ac susceptibility measurements. According to the magnetic data, we found out three magnetic subsystems in NiFe2O4 nanoparticles. The first one with the lowest blocking (spin freezing) temperature (TS = 8 K) established by atomic magnetic moments of magnetically disordered particles with the d < 4 nm. The other two subsystems are formed by the magnetic moments of the "core" of nanoparticles having size more than 4 nm and correlated surface spins in nanoparticle clusters, correspondingly. Magnetic moments of ferrimagnetically ordered "core" are blocking at a higher temperature ( \approx 40 K). It has been shown that the most significant contribution to the energy dissipation is made upon blocking of the correlated nanoparticle surface spins from the magnetically dead layer on the nanoparticles' surface. By the magnetic data, the thickness of this layer is dmd \approx 1 nm for a particle with the <d> \approx 4 nm. At the same time or meanwhile, the ^57Fe Mössbauer spectroscopy has revealed a structural disorder penetrating to a depth of up to dcd \approx 0.6 nm in a particle with <d> = 4 nm. This evidences for a faster destruction of the magnetic order as compared with the crystal order upon moving away from the center of a particle to its periphery.

Features of the Course of the Solid-State Reactions in a Sn/Fe/Cu Trilayer Film System

Balashov, Yu. Yu.; Myagkov, V. G.; Bykova, L. E.; Volochaev, M. N.; Zhigalov, V. S.; Matsynin, A. A.; Galushka, K. A.; Bondarenko, G. N.; Komogortsev, S. V.// Technical Physics//

https://doi.org/10.1134/S1063784224070041

Study of the mechanisms of the solid-state reactions in Sn/Fe/Cu thin films is interesting both from a fundamental point of view and from a view of the importance of emerging intermetallics in the technology of solder joints and thin-film lithium-ion batteries. By the integrated approach, including both X-ray phase analysis and local elemental analysis of the cross-sections of the films, the phase composition and the mutual arrangement of phases were studied, at various stages of the solid-state reaction occurring at different temperatures. The observed sequence of the appearing phases differs significantly from the expected one if the mass transfer took place by a volume diffusion through the forming layers.

Magnetotransport and acoustic effects in variable valence element-substituted manganese selenides

Romanova, O. B.; Aplesnin, S. S.; Sitnikov, M. N.; Udod, L. V.; Zhivulko, A. M.// Journal of Materials Science: Materials in Electronics//

https://doi.org/10.1007/s10854-024-13521-4

The magnetic, transport and acoustic properties of materials TmXMn1−XSe (0.025 ≤ X ≤ 0.2) have been studied in magnetic fields of up to 12 kOe at temperatures of 80‒600 K. The magnetic phase transition temperatures (TN) and change in the sign of resistance at DC current in vicinity of the TN were established. The temperature and concentration ranges corresponding to the maximum magnetoresistance (− 50% for X = 0.025) and magnetoimpedance (12% for X = 0.2) have been determined. The mechanism of relaxation has been established from the impedance spectrum and the activation energy change upon temperature and concentration has been found. The difference between the dc and ac magnetoresistances has been disclosed. The concentration range with hole and electron type carriers is determined. The mobility anomalies in the vicinity of the valence transition have been established. It is shown that the current and electrical resistance in the TmXMn1−XSe compound can be manipulated by ultrasound and a magnetic field. A qualitative difference between the interaction of current and ultrasound in the magnetically ordered and paramagnetic regions is found

Crystal phase stability and barocaloric efficiency of (NH4)3WO2F5

Bogdanov, Evgeniy V.; Gorev, Mikhail V.; Laptash, Natalia M.; Kartashev, Andrey V.; Pogoreltsev, Evgeniy I.; Flerov, Igor N.// Solid State Sciences//

https://doi.org/10.1016/j.solidstatesciences.2024.107703

Calorimetric, dilatometric and pressure studies of (NH4)3WO2F5 were performed over a wide temperature range, including the Pm-3m ↔ Pa-3 phase transition. Comparison of the obtained results with data for related fluorides (NH4)3SnF7 and (NH4)3TiF7 undergoing the same structural changes showed a significant role of chemical pressure in the formation of thermal and barocaloric properties. A decrease in anomalous entropy in oxyfluoride, ΔS0 = 12.2 J/mol·K, is accompanied by a significant increase in sensitivity to hydrostatic pressure, dT0/dp = 93 K/GPa, the preservation of a large change in anomalous deformation δ(ΔV/V)0 = 0.45 % and a small temperature hysteresis, δT0 < 1 K. This combination of thermal characteristics has led to both a significant increase in extensive and intensive barocaloric parameters in the low pressures area, and to their high reversibility in the modes of increasing and decreasing pressure.

Abnormal Lattice Shrinkage, Site Occupation, and Luminescent Properties of Cr3+-Activated β-Al2O3 Structure Phosphors

Zhu, H., Li, Y., Xi, Y., (...), Zhou, Z., Xia, M.// Laser and Photonics Reviews//

 https://doi.org/10.1002/lpor.202401089

β-Al2O3 phosphors show good optical properties for highly symmetric lattices and dense frameworks. Here, an abnormal lattice shrinkage phenomenon is found in BaMg1-xZnxAl9.8O17: Cr3+ (BM1-xZxA: Cr3+) phosphors, which can be attributed to the variation in the covalency of the chemical bond. Accordingly, the denser crystal structure caused by the abnormal shrinkage improves the luminescent intensity (67%↑) and the thermal stability (69%→76%@150 °C). Internal/external quantum efficiency (IQE/EQE) of BZA: 0.2Cr3+ reaches 95% and 52.7%, respectively. In addition, the preferential occupation of the Cr3+ ion is discussed through the crystal field strength calculation, low-temperature spectra, and fluorescent lifetime. The unique spectrum of the phosphor derives from the occupation of Cr3+ on the octahedral sites (Al4 and Al1) and the formation of Cr3+-Cr3+ coupling pairs. Finally, the high matching rate between the absorption curve of plant pigment Pfr and the EL spectrum of the as-prepared pc-LED expresses that it can be applied in plant lighting.

DIAMAGNETIC PROPERTIES OF MIXURES OF NEMATIC LIQUID CRYSTAL WITH CHLOROPHYLLS AND CAROTENOIDS

Alexander M. Parshin, Tatiana A. Zotina// Zhidkie Kristally i Ikh Prakticheskoe Ispol'zovanie//

DOI: 10.18083/LCAppl.2024.3.71

The magnetic susceptibility and diamagnetic anisotropy of the mixtures of nematic 5CB with chlorophyll a (Chl. a), chlorophyll b (Chl. b) and carotenoids, which were synthesized in the form of extracts, with different concentrations of components have been studied. The pigments were extracted from finely ground powder of air-dried biomass of the aquatic plant Ceratophyllum demersum L., grown from a laboratory culture. The probable configuration of the molecules of substances in a magnetic field was considered. Taking into account the orientational features of the liquid crystal 5CB, the expressions for the diamagnetic anisotropy of its mixtures with various extracts were derived. Using the Faraday method, with the direct measurement of the force acting on a mixture in a magnetic field, the dependences of longitudinal and transverse components of the magnetic susceptibility and diamagnetic anisotropy of the mixtures on temperature were obtained. The amplitude differences in the temperature dependences of diamagnetic anisotropy for various mixtures were analyzed. The influence of currents in benzene rings of the liquid crystal and in conjugated aromatic porphyrin macrocycles, as well as in aliphatic chains of organic molecules on diamagnetic anisotropy was estimated

Effect of the Addition of Cu and Al on the Microstructure, Phase Composition and Properties of a Ti-6Al-4V Alloy Obtained by Selective Laser Melting

Zeer, G.M., Gordeev, Y.I., Zelenkova, E.G., (...), Kuchinskii, M.Y., Zharkov, S.M.// Metals//

 https://doi.org/10.3390/met14090991

The present study considers the samples of an Ti-6Al-4V alloy obtained by selective laser melting with the addition of a 10% Cu-Al powder mixture. The microstructure, elemental composition and phase composition, as well as the physico-chemical properties, have been investigated by the methods of electron microscopy, X-ray phase analysis, and bending testing. The obtained samples have a relative density of 98.5 ± 0.1%. The addition of the Cu-Al powder mixture facilitates supercooling during crystallization and solidification, which allows decreasing the size and changing the shape of the initial β-Ti grains. The constant cooling rate of the alloy typical for the SLM technology has been shown to be able to prevent martensitic transformation. The formation of a structure that consists of β-Ti grains, a dispersed eutectoid mixture of α-Ti and Ti2Cu grains, and a solid solution of Al in Cu has been revealed. In the case of doping by the 10% Cu-Al mixture, the physico-mechanical properties are improved. The hardness of the samples amounts to 390 HRC, with the bending strength being 1550 ± 20 MPa and deformation of 3.5 ± 0.2%. The developed alloy can be recommended for applications in the production of parts of jet and car engines, implants for medicine, and corrosion-resistant parts for the chemical industry.

Synergetic experimental and theoretical investigation of molecular structure – Optical properties relationships of anthrazoline-based polymeric chains

Shchugoreva, I.A., Smyslov, R.Y., Nasirova, I.A., (...), Tomilin, F.N., Avramov, P.V.// Optical Materials//

https://doi.org/10.1016/j.optmat.2024.116135

The photoluminescence and UV–Vis absorption spectra of copolyamides containing 1,9-anthrazoline with para- and meta-[(substituted carbonyl)amino]phenyl-1-ene moieties in a polymer backbone were studied by a combination of experimental and theoretical approaches. The investigation was accomplished through time-dependent density functional theory electronic structure calculations of small-molecule models mimicking a polymer chain. Theoretical absorption and luminescence spectra of ten atomistic models were compared with corresponding experimental data, and the optical properties of two new luminescent molecules with bromine auxochrome were predicted. An analysis of the optical properties demonstrate an identical effect of the type and position of a substituent on the spectra for para- and meta-[(substituted carbonyl)amino]phenyl-1-ene moieties. It was found that the absorption and luminescence spectra of theoretical para-models demonstrate red shifts relative to the corresponding meta-ones. The same phenomenon was observed in experimental spectra of low-molecular-mass compounds and corresponding copolyamides in solution and bulk. Unique optical properties allow anthrazoline-based polymer compounds to be used in numerous advanced optoelectronic applications with desired optical and electronic characteristics.

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