Crystal Symmetry Research Articles

A double perovskite BaSrTiMnO6: Synthesis, microstructural, transport and optical properties for NTC thermistor applications

The provided communication reports the synthesis and comprehensive characterization of the BaSrTiMnO6 (BSTMO) ceramic. Rietveld analysis suggests the formation of monoclinic crystal symmetry with average crystallite size of 75.3 nm and micro-lattice strain of 0.00174. Scanning Electron Microscope (SEM) analysis reveals uniform grain distribution with well-defined grain boundaries. Well-grown grains and grain boundaries actively contribute to the transport mechanism. Energy Dispersive X-ray Analysis (EDX) is employed to check the purity and compositional analysis of the prepared sample. Raman spectrum analysis confirms the presence of all constituent atomic vibrations. UV-visible spectrum investigation yields a bandgap energy of 1.94 eV, suitable for photovoltaic applications. Maxwell-Wagner type of polarization effect is observed from frequency-dependent dielectric constant and loss study. Modulus study confirms non-Debye relaxation nature. Temperature-frequency-dependent electrical impedance analysis shows negative temperature coefficient, non-Debye type relaxation. The study of temperature dependence of resistance suggests NTC thermistor behavior.

Magnetic properties of Sohncke-type Pb(TiO) Cu4(PO4)4 exposed by resonant x-ray Bragg diffraction

The enantiomorphous (chiral) crystal class of Sohncke-type Pb(TiO)Cu4(PO4)4 permits the rotation of the plane of polarization of light (optical activity). Copper ions participate in noncollinear antiferromagnetic order below a temperature ≈ 7 K, with magnetoelectric and piezomagnetic effects permitted. Crystal and magnetic symmetries of Pb(TiO)Cu4(PO4)4 are fully incorporated in calculated resonant x-ray Bragg diffraction patterns that are successfully compared with existing limited experimental data [Misawa , ]. Specifically, there is additional intensity of a Bragg spot (a chiral signature) from circular polarization (helicity) in the primary beam of x rays. The chiral signature is shown to arise from Cu axial magnetic dipoles, with the prospect of future experiments revealing interference between magnetic dipoles and (Templeton-Templeton) chargelike quadrupoles. An expression for the additional intensity used by Misawa does not respect magnetic symmetry, and our symmetry-informed answer overturns their principal conclusions about chirality and magnetic order. Dirac quadrupoles and octupoles are potentially strong sources of diffraction when the reflection vector is parallel to the unique direction in the tetragonal lattice. Notably, a Dirac quadrupole is a parity- and time-odd atomic multipole unlike a multisite spin entity previously mentioned in the context of Pb(TiO)Cu4(PO4)4 [Kimura , ]. Published by the American Physical Society 2024

Noncollinear Electric Dipoles in a Polar Chiral Phase of CsSnBr3 Perovskite.

Polar and chiral crystal symmetries confer a variety of potentially useful functionalities upon solids by coupling otherwise noninteracting mechanical, electronic, optical, and magnetic degrees of freedom. We describe two phases of the 3D perovskite, CsSnBr3, which emerge below 85 K due to the formation of Sn(II) lone pairs and their interaction with extant octahedral tilts. Phase II (77 K < T < 85 K, space group P21/m) exhibits ferroaxial order driven by a noncollinear pattern of lone pair-driven distortions within the plane normal to the unique octahedral tilt axis, preserving the inversion symmetry observed at higher temperatures. Phase I (T < 77 K, space group P21) additionally exhibits ferroelectric order due to distortions along the unique tilt axis, breaking both inversion and mirror symmetries. This polar and chiral phase exhibits second harmonic generation from the bulk and pronounced electrostriction and negative thermal expansion along the polar axis (Q22 ≈ 1.1 m4 C-2; αb = -7.8 × 10-5 K-1) through the onset of polarization. The structures of phases I and II were predicted by recursively following harmonic phonon instabilities to generate a tree of candidate structures and subsequently corroborated by synchrotron X-ray powder diffraction and polarized Raman and 81Br nuclear quadrupole resonance spectroscopies. Preliminary attempts to suppress unintentional hole doping to allow for ferroelectric switching are described. Together, the polar symmetry, small band gap, large spin-orbit splitting of Sn 5p orbitals, and predicted strain sensitivity of the symmetry-breaking distortions suggest bulk samples and epitaxial films of CsSnBr3 or its neighboring solid solutions as candidates for bulk Rashba effects.

Large out-of-plane spin–orbit torque in topological Weyl semimetal TaIrTe4

The unique electronic properties of topological quantum materials, such as protected surface states and exotic quasiparticles, can provide an out-of-plane spin-polarized current needed for external field-free magnetization switching of magnets with perpendicular magnetic anisotropy. Conventional spin–orbit torque (SOT) materials provide only an in-plane spin-polarized current, and recently explored materials with lower crystal symmetries provide very low out-of-plane spin-polarized current components, which are not suitable for energy-efficient SOT applications. Here, we demonstrate a large out-of-plane damping-like SOT at room temperature using the topological Weyl semimetal candidate TaIrTe4 with a lower crystal symmetry. We performed spin–torque ferromagnetic resonance (STFMR) and second harmonic Hall measurements on devices based on TaIrTe4/Ni80Fe20 heterostructures and observed a large out-of-plane damping-like SOT efficiency. The out-of-plane spin Hall conductivity is estimated to be (4.05 ± 0.23)×104 (ℏ ⁄ 2e) (Ωm)−1, which is an order of magnitude higher than the reported values in other materials.

Crystal Structure Complexity and Approximate Limits of Possible Crystal Structures Based on Symmetry-Normalized Volumes.

Rules that control the arrangement of chemical species within crystalline arrays of different symmetry and structural complexity are of fundamental importance in geoscience, material science, physics, and chemistry. Here, the volume of crystal phases is normalized by their ionic volume and an algebraic index that is based on their space-group and crystal site symmetries. In correlation with the number of chemical formula units Z, the normalized volumes exhibit upper and lower limits of possible structures. A bottleneck of narrowing limits occurs for Z around 80 to 100, but the field of allowed crystalline configurations widens above 100 due to a change in the slope of the lower limit. For small Z, the highest count of structures is closer to the upper limit, but at large Z, most materials assume structures close to the lower limit. In particular, for large Z, the normalized volume provides rather narrow constraints for the prediction of novel crystalline phases. In addition, an index of higher and lower complexity of crystalline phases is derived from the normalized volume and tested against key criteria.

In-plane magnetization orientation driven topological phase transition in OsCl3 monolayer

The quantum anomalous Hall effect resulting from the in-plane magnetization in the OsCl3 monolayer is shown to exhibit different electronic topological phases determined by the crystal symmetries and magnetism. In this Chern insulator, the Os-atoms form a two dimensional planar honeycomb structure with an easy-plane ferromagnetic configuration and the required non-adiabatic paths to tune the topology of electronic structure exist for specific magnetic orientations based on mirror symmetries of the system. Using density functional theory (DFT) calculations, these tunable phases are identified by changing the orientation of the magnetic moments. We argue that in contrast to the buckled system, here the Cl-ligands bring non-trivial topology into the system by breaking the in-plane mirror symmetry. The interplay between the magnetic anisotropy and electronic band-topology changes the Chern number and hence the topological phases. Our DFT study is corroborated with comprehensive analysis of relevant symmetries as well as a detailed explanation of topological phase transitions using a generic tight binding model.

Tailoring perovskite ceramics for improved structure, vibrational behaviors and radiation protection: The role of lanthanum in PbTiO3

This study investigates the characteristics of lanthanum (La)-doped lead titanate (PbLaxTi(1-3x/4)O3 where, x = 0.0, 0.02, 0.04, 0.06, 0.08, and 0.1), a type of perovskite ceramic. It specifically focuses on analyzing its structure, vibrational properties, and efficacy in shielding against radiation. The prepared samples are investigated by X-ray diffraction (XRD), which clarified that the small doping of La (x ≤ 0.06) produced the required phase, and increasing the La doping (x > 0.06) produced nonrequired phases (secondary phase). Also, increasing the La doping converted the crystal symmetry from tetragonal to cubic, which was confirmed by the tetragonality raio (c/a) calculations. Also, the samples are investigated by Fourier transform infrared (FTIR) spectroscopy to confirm the XRD results. Transmission electron microscopy (TEM) examination clarified that the prepared samples were in the nanoscale range with a maximum crystallite size value of around 70 nm. In addition, the shielding effectiveness of all the prepared samples was theoretically evaluated using the Phy-X/PDS program by considering characteristics such as the linear attenuation coefficient (GLAC), mean free path (GMFP), transmission factor (TF), and radiation protection efficiency (RPE). Increasing the La concentration increases the theoretical density to 4.98 gm/cm3 at x = 0.1, leading to low TF and GMFP values and high GLAC values. This produces samples with high attenuation to radiation and high shielding effectiveness.

Symmetry Engineering of Epitaxial Hf0.5Zr0.5O2 Ultrathin Films.

Robust ferroelectricity in HfO2-based ultrathin films has the potential to revolutionize nonvolatile memory applications in nanoscale electronic devices because of their compatibility with the existing Si technology. However, to fully exploit the potential of ferroelectric HfO2-based thin films, it is crucial to develop strategies for the controlled stabilization of various HfO2-based polymorphs in nanoscale heterostructures. This study demonstrates how substrate-orientation-induced anisotropic strain can engineer the crystal symmetry, structural domain morphology, and growth orientation of ultrathin Hf0.5Zr0.5O2 (HZO) films. Epitaxial ultrathin HZO films were grown on the heterostructures of (001)- and (110)-oriented La2/3Sr1/3MnO3/SrTiO3 (LSMO/STO) substrate. Various structural analyses revealed that the (110)-oriented substrate promotes a higher degree of structural order (crystallinity) with improved stability of the (111)-oriented orthorhombic phase (Pca21) of HZO. Conversely, the (001)-oriented substrate not only induces a distorted orthorhombic structure but also facilitates the partial stabilization of nonpolar phases. Electrical measurements revealed robust ferroelectric properties in epitaxial thin films without any wake-up effect, where the well-ordered crystal symmetry stabilized by STO(110) facilitated better ferroelectric characteristics. This study suggests that tuning the epitaxial growth of ferroelectric HZO through substrate orientation can improve the stability of the metastable ferroelectric orthorhombic phase and thereby offer a better understanding of device applications.

Investigation of structural, morphological, dielectric, optical, and ferroelectric-energy storage properties of [(1-x) BCT-(x) BZT] electroceramics

Extensive research and advancements have been progressed by the vast potential of eco-friendly dielectric capacitors in high-level electronic elements and high-performance pulsed power systems thus far. Ferroelectric ceramic materials exhibiting relaxor properties and significant dielectric constants are prime candidates for attaining exceptional energy storage capabilities. Herein, a lead-free (1-x) Ba0.9Ca0.1TiO3–xBaZr0.15Ti0.85O3 (abbreviated as (1-x) BCT-xBZT) solid solution system has been synthesized via the conventional solid-state reaction technique, with varying levels of BZT doping. The X-ray diffraction study confirmed pure perovskite structure formation in the prepared ceramics, and the coexistence of orthorhombic (O) (space group- Amm2) and tetragonal (T) (space group-P4mm) phases has been detected through the Rietveld refinement technique at room temperature. Rietveld refinement data and associated analysis highlight the gradual shift of crystal symmetry from Amm2 to P4mm as the x content increases. Replacing BZT in Ca-modified BaTiO3 has led to significant enhancements in microstructural properties and an increase in the width of the optical band gap. This, in turn, enhances energy storage capabilities compared to pure BCT. Incorporating BZT into BCT has led to the evolution of relaxor ceramics, a crucial development for achieving elevated levels of recoverable energy storage density. In this study, the solid solution comprising 0.6BCT-0.4BZT exhibits distinct traits, including a diffuse phase transition, high breakdown strength, shallow dielectric loss (tanδ <0.007), and significantly high dielectric constant. Due to enhanced electrical characteristics, the 0.6BCT-0.4BZT possesses very high saturation polarization of ∼48 μCcm−2, a total energy density of 1.71 J/cm3, and a recoverable energy density of 1.1 J/cm3. In addition, the optimized ceramics demonstrate concurrent achievement of high-frequency stability (10–250 Hz), fatigue resistance (up to 104 cycles), and favorable temperature stability (20–160°C). This study showcased a potential material candidate suitable for energy storage devices functioning within low to medium-electric fields.

Ferroelectricity with Long ion Displacements in Crystals of Non‐Polar Point Groups

AbstractIn the classical model, ferroelectricity is associated with small ion displacements from paraelectric phases with high symmetry, and ferroelectric crystals must adopt one of the ten polar point groups with low symmetry according to Neumann's principle. In this work, it is proposed that this conclusion is based on perfect bulk crystals without taking the boundaries into account. First‐principles evidence shows that ferroelectric polarizations may also be formed in some non‐polar point groups as the edges generally break the crystal symmetry. Meanwhile, such polarizations can be maintained at macroscale and are switchable when the transition between multiple equivalent states with high symmetry can be realized via long ion displacements， essentially akin to ion conductors. For example, the switching barriers can be much reduced in sliding ferroelectric bilayer systems or ionic compounds with covalent‐like directionality. Such unconventional ferroelectricity can be attributed to the boundaries and long ion displacements, and its existence in several systems like CuCrS2 is supported by experimental observations. It may explain a series of unclarified phenomena reported previously as well as significantly expand the scope of ferroelectrics, especially those with high polarizations induced by long ion displacements.

Enhanced self-collimation effect by low rotational symmetry in hexagonal lattice photonic crystals

In this study, we present the design of a photonic crystal (PC) structure with a hexagonal lattice, where adjustments to the PC unit cell symmetry reveal an all-angle self-collimation (SC) effect. By optimizing opto-geometric parameters, such as the rotational angle of auxiliary rods and adjacent distances, we analyze the SC property in detail, leveraging group velocity dispersion (GVD) and third-order dispersion (TOD) characteristics. We also investigate the relationship between symmetry properties and their influence on dispersion characteristics. Through symmetry manipulation, we gain a comprehensive understanding of the underlying mechanisms governing light collimation and confinement in the proposed configurations. The PC structure with a C1 symmetry group exhibits all-angle SC effect within the range of a/λ = 0.652 and a/λ = 0.668 normalized frequencies, with a bandwidth of Δω/ω c =2.4% Further breaking the symmetry, transforming from C1 to C2 group symmetry enhances the SC bandwidth to Δω/ω c =6.5% and reveals the perfect linear equi-frequency contours (EFC) at two different frequency bands: all angle SC between a/λ = 0.616 and a/λ = 0.344 normalized frequencies in the 4th transverse magnetic (TM) band and between a/λ = 0.712 and a/λ = 0.760 in the 5th TM band. Here, GVD and TOD values of the TM 4th band vary between 7.3 (a/2πc2)–254.3 (a/2πc2) and 449.2 (a2/4π 2c3)–1.3×105 (a2/4π 2c3), respectively. Also, GVD and TOD values of the TM 5th band vary between 182.5 (a/2πc2)–71.3 (a/2πc2) and −24380(a2/4π 2c3)–−9619 (a2/4π 2c3) values, respectively. Additionally, we propose a composite/hybrid PC structure resembling C2 group symmetry, where two auxiliary rods are replaced by rectangular photonic wires with the same refractive index and width equal to the diameter of auxiliary rods. This hybrid structure exhibits an all-angle SC effect with an operating bandwidth of Δω/ω c =11.7%, which displays near-zero GVD and TOD performance and offers enhanced robustness against potential fabrication precision issues.

Imaging Thermally Fluctuating Néel Vectors in van der Waals Antiferromagnet NiPS3.

Studying antiferromagnetic domains is essential for fundamental physics and potential spintronics applications. Despite their importance, few systematic studies have been performed on antiferromagnet (AFM) domains with high spatial resolution in van der Waals (vdW) materials, and direct probing of the Néel vectors remains challenging. In this work, we found multidomain states in the vdW AFM NiPS3, a material extensively investigated for its unique magnetic exciton. We employed photoemission electron microscopy combined with the X-ray magnetic linear dichroism (XMLD-PEEM) to image the NiPS3's magnetic structure. The nanometer-spatial resolution of XMLD-PEEM allows us to determine local Néel vector orientations and discover thermally fluctuating Néel vectors that are independent of the crystal symmetry even at 65 K, well below the TN of 155 K. We demonstrate that an in-plane orbital moment of the Ni ion is responsible for the weak magnetocrystalline anisotropy. The observed thermal fluctuations of the antiferromagnetic domains may explain the broadening of magnetic exciton peaks at higher temperatures.

Effect of DC poling on transparency and photoluminescence in Pr:PMN-PT transparent ceramics

Electric poling could significantly influence the transparency and the photoluminescence (PL) intensities in transparent ferroelectric PL ceramics. This work applied direct current (DC) poling on a highly transparent 0.75PMN-0.25PT:0.015Pr3+ ceramic, observed the domain configurations in a direction perpendicular to poling direction. Lamellar domains perpendicular to electric field were observed after poling and decreased the transmittance by changing the propagation path of incident light. Besides, the enhancement of PL intensities by poling was found as high as 62 %, mainly due to the following reasons: the change of light propagation path by the lamellar domains is supposed to increase the absorption of exciting light; and the reduced crystal symmetry may increase the PL efficiency. This work revealed the effects of DC poling on transparency and PL properties in transparent ferroelectric PL ceramics.

Refinement of the crystal structure of christofschäferite-(Ce) and the modular aspect of the chevkinite polysomatic series with the general formula of {A&lt;sub&gt;4&lt;/sub&gt;B(T&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;7&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;}{C&lt;sub&gt;2&lt;/sub&gt;D&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;8&lt;/sub&gt;}&lt;sub&gt;m&lt;/sub&gt; (m = 1, 2)

Research subject. The crystal structure of christofschäferite-(Ce) was previously refined in terms of the P21/m low-symmetrical space group, which allowed the local features of cationic arrangements to be determined. In this work, we set out to refine the crystal structure of christofschäferite-(Ce) in terms of the P21/a high-symmetrical space group based on the previously collected diffraction data. A topology-symmetrical analysis of the members of the chevkinite group with the general formula of A4BC2D2(Si2O7)2O8 was conducted. Materials and methods. A magmatic rock sample with christofschäferite-(Ce) inclusions was found in the vicinity of the Laacher See volcano, near Mendig, Eifel Mountains, Rhineland-Palatinate (Rheinland-Pfalz), Germany. The crystal structure was studied using single-crystal X-ray analysis. Results. Despite an increase in the symmetry to the P21/a space group (in comparison with the previous data with the P21/m space group), the main patterns of cation distribution between the octahedral and tetrahedral sites are preserved. However, due to the lover number of cationic sites, this distribution becomes more disordered. Based on a crystal chemical analysis of the crystal structures of natural and synthetic members of the chevkinite group in the framework of the OD theory, it is possible to combine them into a united OD family with the same OD groupoid. Conclusions. According to the OD theory, there are two structural OD-subgroups of the chevkinite group (chevkinite and perrierite). The crystal structure and symmetry of possible MDO-polytypes are predicted.

Theory of solid-state harmonic generation governed by crystal symmetry

Theory of solid-state harmonic generation governed by crystal symmetry

Role of grain interface on dielectric and multiferroic properties of 0-3 type (x)CoFe2O4–(1−x)Ba0.8Sr0.2TiO3 nanocomposites

The (x)CoFe2O4–(1−x)Ba0.8Sr0.2TiO3 (0-3 type particulate) nanocomposites with x = 0.00, 0.02, 0.04, 0.06, 0.08, and 1.00 were prepared by the solid-state method. Cobalt ferrite crystallized into cubic crystal symmetry with an Fd3̄m space group. Strontium-substituted barium titanate crystallized into a tetragonal crystal structure with a P4mm space group. Field emission scanning electron microscopy and transmission electron microscopy techniques show the distribution of different sizes of particle. Polarization vs electric field curves show the highest maximum polarization (Pm) of 10.26 μC/cm2, remnant magnetization (Pr) of 11.70 μC/cm2, and coercivity (Ec) of 19.95 kV/cm for x = 0.04 composition at 35 kV/cm. However, it is smaller than the Ba0.8Sr0.2TiO3 phase (Pm = 16.86 μC/cm2, Pr = 13.20 μC/cm2, and EC = 10.80 kV/cm). The highest dielectric constant of around 9800 was found for x = 0.04 composition, with a very small dielectric loss factor of about 0.02, i.e., less than even 2%. This is ∼10 times compared to that of Ba0.8Sr0.2TiO3 (BSTO), which has been explained by considering interaction at the interface of CoFe2O4 (CFO) and BSTO, leakage current, and variation of the lattice parameter of BSTO in (x)CoFe2O4–(1−x)Ba0.8Sr0.2TiO3 nanocomposite. The magnetic hysteresis loops show squeezing near the origin. The magnetic parameters like coercivity, remnant magnetization, and saturation magnetization increased with the increase in the CoFe2O4 weight fraction. Magnetic interaction between surfaces of magnetic CFO and non-magnetic BSTO is evident from the ΔH vs M plots, and it also evidences the magnetism at the surface of BSTO due to uncompensated spins.

Implications and Optimization of Domain Structures in IV-VI High-Entropy Thermoelectric Materials.

High-entropy semiconductors are now an important class of materials widely investigated for thermoelectric applications. Understanding the impact of chemical and structural heterogeneity on transport properties in these compositionally complex systems is essential for thermoelectric design. In this work, we uncover the polar domain structures in the high-entropy PbGeSnSe1.5Te1.5 system and assess their impact on thermoelectric properties. We found that polar domains induced by crystal symmetry breaking give rise to well-structured alternating strain fields. These fields effectively disrupt phonon propagation and suppress the thermal conductivity. We demonstrate that the polar domain structures can be modulated by tuning crystal symmetry through entropy engineering in PbGeSnAgxSbxSe1.5+xTe1.5+x. Incremental increases in the entropy enhance the crystal symmetry of the system, which suppresses domain formation and loses its efficacy in suppressing phonon propagation. As a result, the room-temperature lattice thermal conductivity increases from κL = 0.63 Wm-1 K-1 (x = 0) to 0.79 Wm-1 K-1 (x = 0.10). In the meantime, the increase in crystal symmetry, however, leads to enhanced valley degeneracy and improves the weighted mobility from μw = 29.6 cm2 V-1 s-1 (x = 0) to 35.8 cm2 V-1 s-1 (x = 0.10). As such, optimal thermoelectric performance can be achieved through entropy engineering by balancing weighted mobility and lattice thermal conductivity. This work, for the first time, studies the impact of polar domain structures on thermoelectric properties, and the developed understanding of the intricate interplay between crystal symmetry, polar domains, and transport properties, along with the impact of entropy control, provides valuable insights into designing GeTe-based high-entropy thermoelectrics.

Mer-Bis(quinoline-2-carboxaldehyde 4-ethyl-thio-semicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate.

In the title compound, [Ni(C13H13N4S)2]·0.33CH3OH·0.67H2O, the NiII atom is coordinated by two tridentate quinoline-2-carboxaldehyde 4-ethyl-thio-semi-car-ba-zonate ligands in a distorted octa-hedral shape. At 100 K, the crystal symmetry is monoclinic (space group P21/n). A mixture of water and methanol crystallizes with the title complex, and one of the ethyl groups in the coordinating ligands is disordered over two positions, with an occupancy ratio of 58:42. There is inter-molecular hydrogen bonding between the solvent mol-ecules and the amine and thiol-ate groups in the ligands. No other significant inter-actions are present in the crystal packing.

Poling‐induced enhancement of piezocatalytic performance of 0.96K0.5Na0.5NbO3‐0.04Bi0.5Na0.5ZrO3 ceramic blocks

AbstractCompared with powder particles, ceramic block piezocatalyst possesses the advantages of high cycle stability, decreasing secondary pollution, and easy recovery. Herein, with a simple strategy of the poling procedure, the piezocatalytic activity of 0.96K0.5Na0.5NbO3‐0.04Bi0.5Na0.5ZrO3 (abbreviated as 0.96KNN‐0.04BNZ) ceramic blocks can be considerably improved. A reaction rate constant k value of 14.70×10−3 min−1 in the poled sample can be obtained to degrade Rhodamine B, which is 3.44 times that of the unpoled one. Meanwhile, the poled sample also has good degradation effects against methylene blue and amino black 10B. The improvement of piezocatalytic activities originates from the reduction of crystal symmetry and the enhancement of electron‐hole pair separation, which accelerates the generation of charge carriers. This research displays a unique lead‐free bulk piezocatalyst and a convenient method for enhancing its piezocatalytic activity.

Multiple relaxation mechanisms in SrBi2Nb2O9 ceramic tweaked by tin and samarium incorporation in assistance with single-step microwave sintering

Non-stoichiometric lead free polycrystalline Sr0.8Sn0.2Bi1.75Sm0.25Nb2O9 (SSBSN) ferroelectric ceramics were synthesized through conventional solid step route method by incorporating ball milling and microwave sintering method. X-ray diffraction along with the Rietveld refinement technique confirms the single-phase orthorhombic structure with A21 crystal symmetry. Additionally, the short-range ordering was confirmed by Raman spectroscopy. Doping induced crystallite size and strain were further calculated from the Williamson-Hall plot, which comes around 150 nm and 1.48 × 10–3 respectively. A plate like morphology with an average grain size of 0.41 μm was confirmed by scanning electron microscopy (SEM). A diffuse type ferroelectric to paraelectric phase transition was recorded at 395 °C, mostly arising due to structural heterogeneity at the inter-ferroelectric phase boundary. The temperature and frequency-dependent dielectric measurement of SSBSN ceramic reveal a Maxwell–Wagner relaxation, with prominent dielectric loss in a low frequency regime perhaps due to the generation of leakage current in the SSBSN system. Frequency dependent ac conductivity indicates the polaron assisted hopping mechanism in SSBSN, which further obeys Jonscher’s formulation. The intra and intergranular contributions to impedance in SSBSN ceramics were probed by the complex impedance spectroscopy (CIS) technique. A non-Debye type relaxation mechanism in SSBSN ceramics was indicated by the Cole–Cole plot, whereas the conduction mechanism and transport properties were briefly studied using modulus spectroscopy.