Space Group Pnma Research Articles

Exotic ferroelectricity in strained BaZrS3 chalcogenide perovskite for photovoltaics

Ferroelectricity in solar cells is credited with a multitude of benefits, including improved charge carrier separation and higher than band gap device voltages, however most ferroelectrics are wide-gap materials that generate very little photocurrent. Some halide perovskites are ferroelectric, but they suffer from degradation, despite their otherwise excellent performance. Recently, BaZrS3, a chalcogenide perovskite has received attention due to its optimal band gap, non-toxicity, and superior stability. The ground state of BaZrS3 is reportedly a GdFeO3-type distorted perovskite (space group Pnma). Here, using first-principle calculations, we show that the polar Pna21 is thermodynamically as stable as Pnma. This new phase is weakly ferroelectric, exhibiting a net polarization of 0.27 µC/cm2 and a d33 piezoelectric coefficient of only ~1 pm/V. Under strain, the interplay between out-of-plane and in-plane octahedral tilts amplifies spontaneous polarization, spin splitting, and large polaron radii. These exotic traits are comparable to those of the popular halide perovskites.

The Effect of Mn3+ Substitution on the Electric Field Gradient in a HoFe1−xMnxO3 (x = 0–0.7) System

The effect of the Mn3+ ion on the local distortions of FeO6 octahedra in orthoferrite samples was investigated. Mössbauer spectroscopy measurements for a series of HoFe1−xMnxO3 (x = 0–0.7) orthoferrite samples with the space group Pnma were carried out at temperatures above the Néel point (700 K). The electric field gradient (EFG) tensor on Fe ions for these compounds was found using first-principle calculations. The concentration dependence of quadrupole splitting was obtained using experimental and theoretical data. Mn3+ cations were found to affect the Mössbauer spectra mainly due to distortions of the crystal lattice. Theoretical calculations show that the values of all electric field gradient components increase significantly with the manganese concentration in the system, and the eigenvectors exx and eyy of the electric field gradient tensor sharply change their direction at concentrations of x > 0.1.

Investigation of structural, magnetic, and ferroelectric properties in one-dimensional rare-earth dysprosium orthoferrite (DyFeO3) nanofibers

In this article, one-dimensional Dysprosium orthoferrite (DyFeO3) nanofibers was synthesized via electrospinning and analyzed their structural, morphological, elemental, magnetic, dielectric, ferroelectric and leakage current properties at room temperature. XRD confirmed a stable orthorhombic structure with a Pnma space group, while SEM images displayed a smooth, one-dimensional morphology with a diameter of 130 nm. The nanofibers exhibited a dielectric constant of 326 at 100 Hz. Magnetic studies demonstrated antiferromagnetic ordering with a saturation magnetization of 5.06 emu/g. Furthermore, investigation confirmed the ferroelectric behavior with a saturation polarization of 1.56 μC/cm2. The nanofibers demonstrated an energy storage capacity of 8.35 mJ/cm3 with an efficiency of 52.36 %.

Contrasting Magnetic Structures in the Quaternary Sulfides Ba2FeMS5 (M = Sb, Bi).

Ba2FeSbS5 and Ba2FeBiS5 are two isostructural quaternary sulfides that crystallize in the Pnma space group with four formula units per unit cell. Ba2FeSbS5 has lattice parameters a = 12.08609(3) Å, b = 8.83426(2) Å, and c = 8.89114(2) Å, and Ba2FeBiS5 has a = 12.09610(3) Å, b = 8.89281(2) Å, and c = 8.82437(2) Å at room temperature. They comprise infinite [FeMS5]4- (M = Sb, Bi) chains, where Fe3+ is present in FeS4 tetrahedra and M3+ ions reside in edge-sharing MS6 distorted octahedra, each of which shares an edge with an FeS4 tetrahedron. Powder neutron diffraction measurements confirm the presence of long-range antiferromagnetic order of the Fe3+ moments in both materials, where Fe-S···S-Fe super-superexchange interactions which act along the direction of the [FeMS5]4- (M = Sb, Bi) chains are the driving force for this antiferromagnetic order. The magnetic Bragg reflections reside on a k-vector with k = (1/2 0 1/2), and the relative orientations of the moments are similar in the two cases One significant difference is that the moments are aligned along the crystallographic b-axis in Ba2FeSbS5, whereas in Ba2FeBiS5 they lie along the longer crystallographic a-axis, reflecting the weak directional preference of the Fe3+ moments. Furthermore, an additional incommensurately modulated ordering of the Fe3+ moments is suggested for Ba2FeSbS5 (but not Ba2FeBiS5) by the appearance of small additional magnetic Bragg peaks in the neutron diffraction data, which may be a consequence of greater magnetic frustration in Ba2FeSbS5.

Combustion Synthesis and Influence of Dy3+ ions on Structural and Photometric Attributes of Olivine-type LiMgPO4 Nanophosphors for Illumination Applications.

The low-cost technique of combustion synthesis was used to synthesize the trivalent Dysprosium (Dy3+) doped olivine type Lithium Magnesium Phosphate (LiMgPO4). X-ray diffraction (XRD) analysis verified the orthorhombic phase, corresponding to the space group Pnma. The crystallite size of 50.83nm was calculated using Debye-Scherre formula. FESEM technique was used to study the morphology of the sample which depicts its porous nature. High-Resolution Transmission Electron Microscopy (HRTEM) analysis provided an average particle size measurement of 65 ± 2.04nm. The phosphor's photoluminescence (PL) excitation spectrum revealed distinct peaks in the ultraviolet (UV) and near-ultraviolet (near UV) regions, aligning with the characteristics of Dy3+ ions. Four emission peaks were observed in the PL spectra at various wavelengths: 4F9/2→6H15/2 (482nm), 4F9/2→6H13/2 (578nm), 4F9/2→6H11/2 (663nm) and 4F9/2→6H9/2 (700nm). Near-white light emission was observed at the Commission International de l'Eclairage (CIE) coordinates of Dy3+ activated LiMgPO4 [LMP] phosphor, which were (x = 0.41, y = 0.42) with color purity of 49.20%. The band gap of the prepared phosphor was calculated using diffuse reflectance spectra, yielding a value of 4.47 ± 0.02eV. The results indicated that the synthesized phosphor had potential for various illumination applications when combined with other phosphors under near-UV stimulation.

Polymorphism of Pb5(PO4)3OHδ within the LK-99 mixture

During the synthetic exploration targeting the polycrystalline compound LK-99, an unexpected phase, Pb5(PO4)3OHδ, was identified as a byproduct. We elucidated the composition of this compound through single-crystal X-ray diffraction analysis. Subsequent synthesis of the target compounds was achieved via high-temperature solid-state pellet reactions. The newly identified Pb5(PO4)3OHδ has an orthorhombic crystal structure with space group Pnma, representing a unique structure differing from the hexagonal apatite phases of Pb10(PO4)6O and Pb5(PO4)3OH. Comprehensive temperature- and magnetic-field-dependent magnetization studies unveiled a temperature-independent magnetic characteristic of Pb5(PO4)3OHδ. Solid-state nuclear magnetic resonance spectroscopy was employed to decipher the origins of the phase stability and confirm the presence of hydrogen atoms in Pb5(PO4)3OHδ. These investigations revealed the presence of protonated oxygen sites, in addition to the interstitial water molecules within the structure, which may play critical roles in stabilizing the orthorhombic phase.

La-Ni-Si: A Gold Mine with a Diamond.

The La-poor part of the ternary La-Ni-Si system has been explored leading to the discovery and structural characterization of four new polar intermetallic compounds. LaNi5Si2 [BaAu5Ga2 type, oP64, space group Pnma, a = 7.8223(7) Å, b = 6.3894(6) Å, c = 17.843(2) Å, V = 891.8(2) Å3, Z = 8] features a diamond (lonsdaleite)-like homoatomic Ni framework and is the first Ni representative of a larger family of compounds typically formed by aurides. La2Ni8Si3 [Eu2Ni8Si3 type, tP52, P42/nmc, a = 10.0278(3) Å, c = 7.5047(4) Å, V = 754.65(6) Å3, Z = 4] is characterized by homoatomic Ni4 tetrahedra and rectangles. LaNi5Si3 [SrNi5P3 type, oS36, Cmcm, a = 3.722(2) Å, b = 11.759(5) Å, c = 11.622(3) Å, V = 508.7(3) Å3, Z = 4] is governed by extensive heteroatomic bonding and characterized by homopolyhedral packing. La3Ni4Si2 [Ce3Ni4Si2 type, mC36, C2/c, a = 15.819(1) Å, b = 6.0068(5) Å, c = 7.4918(6) Å, β = 103.163(5)°, V = 693.17(10) Å3, Z = 4] is a new member of homologous series that includes La3Ni3Si2 and La3Ni3.5Si2. We conclude that the similar radii and electronegativities of Ni and Si are the reason for the incredible diversity of compositions and structures in this system.

The stannides SrPdSn and m-BaPtSn

Abstract The stannides SrPdSn (TiNiSi type, orthorhombic space group Pnma) and m-BaPtSn (EuNiGe type, monoclinic space group P21/c) were synthesized from the elements in sealed tantalum ampoules in a high-frequency furnace. Their structures were refined from single-crystal X-ray diffraction data. SrPdSn crystallizes directly from the melt and is stable upon annealing at T = 1073 K. A BaPtSn sample quenched from the melt adopts the cubic LaIrSi-type structure, cubic space group P213 (c-BaPtSn) and shows a temperature induced (annealing at 1070 K) structural phase transition leading to a EuNiGe-type low-temperature modification m-BaPtSn. The phase transition leads to a reconstruction within the polyanionic [PtSn] δ− network. The latter is three-dimensional and composed of ten-membered Pt5Sn5 rings in c-BaPtSn, while the polyanion is two-dimensional in m-BaPtSn and is composed of condensed Pt4Sn4 and Pt2Sn2 rings. The two-dimensional substructure leads to a strong moisture sensitivity for m-BaPtSn. The Pt–Sn distances in both modifications range from 257 to 267 pm, indicating substantial covalent bonding.

Study of Structural, Thermal and Electrical Properties of Sr-Doped CaMnO<sub>3</sub>

Sr-doped CaMnO3 materials have wide applications due to their thermal and electrical properties. The importance of the synthesis of Sr-doped CaMnO3 material for various applications encourages researchers to evaluate and refine the synthesis process. In this study, Ca1-xSrxMnO3 (x = 0; 0.05; 0.1; 0.15; 0.2) system has been prepared by sol-gel method followed by conventional sintering process at 850°C for 8 hr. A thorough discussion has been made on the outcomes derived from the investigation on the structural, electrical, and thermal properties of Sr-doped CaMnO3 system using powder x-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, DC fourprobe method, thermal expansion studies, and thermoelectric power analyses. The XRD patterns of all prepared samples exhibited single phase with orthorhombic crystal structure (space group Pnma). Rietveld refinements were performed for all the patterns by using Fullprof software to extract the structural properties. The values of unit cell volume of samples tend to increase with the increment of dopant concentration, whereas the crystallite size values were decreased with dopant concentration. The microstructures of all the samples were studied using SEM, and elemental compositions were confirmed from the EDS results. Linear thermal expansion coefficients of all the samples were found to have moderate values in the temperature range from 30°C to 800°C. The electrical properties of all the system of samples were studied in the temperature range from 30°C to 400°C using DC fourprobe conductivity setup. It was found that all the samples exhibited semiconductor nature. Sr-content on the A-site suppress the electrical resistivity up to 10% of concentration and 5% dopant content exhibited the lowest electrical resistivity. The values of Seebeck coefficient found to vary from -160 µV/K to -124 µV/K with the increase of dopant content in the parent compound.

Evidence of Spin Reorientation from Γ4 to Γ2 and Sign Reversal Exchange Bias in CeCrO3 Nanoparticles

Herein, the temperature‐dependent magnetic structure and sign reversal exchange bias in CeCrO3 using magnetization data and time‐of‐flight neutron diffraction data which is given less attention among RCrO3 are investigated. While nuclear structural analysis using Rietveld refinement exhibits distorted orthorhombic structure within Pnma space group, temperature dependence of the magnetic structure using neutron diffraction reveals possible spin configurations, namely, Γ4, Γ2, and Γ1, within the temperature range of 6–300 K. Temperature‐dependent magnetization shows compensation temperature, Tcomp, at 58 K, spin reorientation temperature, TSR, at 15 K along with a Neel temperature, TN, at 260 K which is the outcome of the competition between canted antiferromagnetic ordering of Cr3+ ions and Ce3+ ions in CeCrO3. Furthermore, the magnetization versus magnetic field (M vs H) measurements indicate transition of the Γ4 spin structure to Γ2 spin structure around TSR which is further supported by reversible‐to‐irreversible changes observed in temperature‐dependent MFCC and MFCW. Moreover, a temperature‐driven sign reversal of exchange bias in CeCrO3 is observed, resulting from the competition between antiferromagnetic coupling between chromium moment (MCr) and cerium moment (MCe) in these nanoparticles. This intriguing behavior holds significant potential for the development of thermally assisted magnetic random access memory.

Influence of La3+ doping on structural and optical properties of SrCeO3 perovskite

The SrCe1-xLaxO3 (x = 0.0, 0.02, 0.4, 0.6, and 0.10) perovskite materials have been successfully synthesized by auto-combustion method and calcined at 1100°C. The XRD patterns reveal a highly crystalline orthorhombic crystal structure with a Pnma space group in all samples. The TEM micrograph shows a spherical morphology of the 10 mol% La3+ doped SrCeO3 perovskite sample alongwith the SAED pattern confirming its highly crystalline nature. The incorporation of La3+ ion in the SrCeO3 perovskite has been confirmed by the Raman and Fourier transform infrared (FTIR) measurements. The UV–vis absorption spectra at room temperature show various bands, with a strong absorption band observed below 400 nm. The optical band gap of the undoped and La3+ doped samples have been calculated and it is smaller for the La3+ doped perovskite samples than that of the undoped perovskite sample. Therefore, the La3+ doped SrCeO3 perovskite may be applicable for optoelectronic applications.

Synthesis and Optical Properties of Organic-Inorganic Hybrid [(18-Crown-6)K][MoOCl4(H2O)

Crown ether anchored organic-inorganic hybrid halides have been recently reported as interesting luminescent materials in the visible region of electromagnetic spectrum. Is it possible to develop such crown ether anchored hybrid materials for near infrared emission? Motivated by this question, we designed a new hybrid material, namely, [(18-Crown-6)K][MoOCl4(H2O)]. 18-Crown-6 ether bound with K+ form the cationic part [(18-Crown-6)K]+. The K+ of [(18-Crown-6)K]+ electrostatically interacts with Cl- of the anionic part [MoOCl4(H2O)]-, forming the hybrid crystal [(18-Crown-6)K][MoOCl4(H2O)]. It crystallizes in orthorhombic crystal system with Pnma space group. The Mo(V) possesses one d-electron (d1) in point group symmetry in the [MoOCl4(H2O)]- polyhedra. This electronic configuration leads to multiple spin-allowed transitions along with a ligand to metal charge transfer (LMCT) resulting into multiple optical absorption bands in the near UV-visible-near infrared (NIR) region. The lowest energy transition via 2E ( , )/2E ( ) 2B2 ( ) leads to NIR PL with peak at 952 nm, but with a poor intensity at room temperature.

Luminescence Properties of Cs<sub>3</sub>Cu<sub>2</sub>I<sub>5</sub> Phosphors Powder with Solid State Method

The low-temperature solid-state method is utilized to prepare Cs3Cu2I5 phosphors powder by using the cesium iodide (CsI) and cuprous iodide (CuI) as the raw materials. The phase structures of samples were investigated by using X-ray spectrum and steady-state fluorescence spectrometer. The experimental results show that all of samples were crystallized in the orthorhombic structure with pnma space group at the annealing temperature of 100-400°C. Cs3Cu2I5 phosphors exhibits a strong blue photoluminescence emission with peak at 440nm under excitation at 310nm. With the increase of the annealing temperature in the range of 100-400°C, the photoluminescence quantum yield (PLQY) of Cs3Cu2I5 powder achieved the 79.95%. It is revealed that the prepared Cs3Cu2I5 powder phosphors potentially have the promising application in the blue light emitting materials.

Structural, magnetic, and magnetocaloric characterizations of geometrically-frustrated SrRE2O4 (RE = Gd, Dy, Ho, Er) oxides for low-temperature cooling applications

The magnetocaloric (MC) properties of many rare earth (RE)-based magnetic solids have been intensively investigated. This research aims to develop suitable MC materials for low-temperature cooling application and to better elucidate their intrinsic properties. We have fabricated four single-phase SrRE2O4 (RE = Gd, Dy, Ho, Er) oxides and conducted a systematic experimental investigation into their structural, magnetic, and low-temperature MC properties. All these SrRE2O4 oxides crystallize in an orthorhombic structure (space group Pnma) and exhibit typical geometrical frustration. This frustration arises from the one-dimensional RE ion zigzag ladders along the c-axis, which link the two-dimensional honeycomb lattice in the ab plane. The elements in SrRE2O4 oxides are uniformly distributed and present with valence states of Sr2+, RE3+, and O2−, respectively. Large low-temperature MC effects and notable performances are realized in these SrRE2O4 oxides, determined by the MC parameters of magnetic entropy change, refrigerant capacity, and temperature-averaged entropy change (with a lift of 5 K). These MC parameters under a magnetic field change of 0–70 kOe are as follows: 34.18 J/kgK, 275.88 J/kg, and 30.74 J/kgK for SrGd2O4; 18.13 J/kgK, 253.83 J/kg, and 17.54 J/kgK for SrDy2O4; 18.81 J/kgK, 354.77 J/kg, and 18.61 J/kgK for SrHo2O4; and 22.63 J/kgK, 284.25 J/kg, and 21.97 J/kgK for SrEr2O4. These values are comparable to those of most recently updated low-temperature MC materials with remarkable performances, making these SrRE2O4 oxides highly interesting for practical cooling applications.

Praseodymium induced symmetry switching and electrochemical characteristics of LaCoO3 nanostructures

A comparative study of the crystal structures and electrochemical characteristics of bulk and nanoscale La1-xPrxCoO3 (x = 0, 0.3 and 0.6) perovskites is made using synchrotron x-ray diffraction, cyclic voltammetry, and galvanostatic charge/discharge methods. It is shown that the sol-gel synthesized nano structures and bulk LaCoO3 exhibit different crystal structures, viz., rhombohedral [a = b = 5.4401 Å, c = 13.134 Å (on hexagonal axes), Z = 6, R3‾c] and monoclinic [am = 5.3865 Å, bm = 5.4482 Å, cm = 7.6365 Å, βm = 89.010°, Z = 4, I2/a], respectively. The evidence for CoO6 octahedra distortion in bulk LaCoO3 is also gathered from the three distinct Raman active modes at 518, 646, and 688 cm−1 emerging due to the Jahn-Teller effect, which, in-turn, reduces the crystal symmetry for achieving structure stabilization. This amounts to changes in Co–O bond lengths and Co–O–Co bond angles with promotion of t2g electron to eg level simultaneously for Co3+(3d6) to attain an intermediate spin state (S = 1) or higher. However, Pr-insertion induces phase transition to orthorhombic in both but with space group Pnma in nanostructures and equivalent Pbnm in bulk. The substitution effect on the specific capacitance (C) is opposite in nature, i.e., while ‘C’ decreases from 149 to 12 F/g in nano structures, it increases from 0.4 to 4 F/g in bulk with increase in Pr-content from x=0 to 0.6. A galvanostatic charge-discharge test of pristine nano LaCoO3 performed at a constant scan rate of 50 mVs−1 reveals electrode electrochemical stability by retaining 96 % of specific capacitance ∼82.5 F/g for 2000 cycles at least. The variation in the crystal structure and bond length and/or angle plays a key role in controlling the electrochemical performance of Pr-substituted LaCoO3 perovskites.

Synthesis and Characterization of LaMnO3 Prepared by Hydrothermal Synthesis Method

Abstract LaMnO3 powders were prepared by hydrothermal synthesis method by varying citric acid to metal ions. The ratio of citric acid to metal ions is one of the parameters that have an affect on purity of LaMnO3 prepared by hydrothermal method. It is necessary to control the parameter to obtain the good quality of the final product of LaMnO3. LaMnO3 with variation molar ratio of citric acid to metal ion (CA/M) of 0, 1 and 4 were prepared. To determine the morphology, crystall structure, and phase composition, the powders were characterized by Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and X-Ray Diffraction (XRD) techniques. The obtained results revealed that the morphology of sample CA/M = 0 has rod-like shape, CA/M = 1 was in the formed of irregular fine particles that stuck together and formed agglomerates, while the spherical morphology with various diameters were formed in the sample CA/M = 4. The XRD analysis demonstrated that sample CA/M = 1 had a single phase while in sample CA/M = 0 and CA/M = 4 others phase were detected such as La (OH)3 and La2O3. There was a change in crystall structure of the LaMnO3 phase in each sample due to the presence of citric acid. The peaks position in sample CA/M = 0, 1, dan 4 exhibit orthorhombic, rhombohendral and cubic structure with space group of Pnma, R -3c and Pm-3m respectively.

Energy transfer mechanism in infrared-emitting NaYGeO4:Tm3+, Ho3+ phosphors

Two series of NaY0.85Tm0.15-xHoxGeO4 (x = 0.005–0.03) and NaY0.85-xTm0.15HoxGeO4 (x = 0.0–0.055) phosphors have been prepared by the citrate technique. According to XRPD study, all the germanates crystallize in olivine structure and have an orthorhombic lattice, space group Pnma, Z = 4. The diffuse reflectance spectra have been measured and the optical band gap has been estimated. Under 808 nm laser diode excitation, the NaYGeO4:Tm3+, Ho3+ samples exhibit luminescence in the range of 1640–2240 nm, which is caused by 3F4 → 3H6 transition in Tm3+ and 5I7 → 5I8 transition in Ho3+ ions. The highest intensity of holmium lines, while maintaining relatively high intensity of thulium lines, was observed for NaY0.82Tm0.15Ho0.03GeO4, NaY0.815Tm0.15Ho0.035GeO4 samples with the Tm3+/Ho3+ ratio close to 5/1. The luminescence decay kinetics has been studied and the rate of energy transfer from Tm3+ to Ho3+ ions has been calculated. The obtained results indicate an effective energy transfer accelerated by migration due to dipole-dipole interaction. The mechanism of excitation and infrared luminescence in NaYGeO4:Tm3+, Ho3+ phosphors has been proposed.

Weak ferromagnetic interactions of [formula omitted] induced by coupling of the crystal and related lattice vibrations

There is an increase in demand of the next-generation spintronic devices with stable structural and magnetic properties in varying temperatures. An orthoferrites structure of the Pnma space group has been successfully prepared using high temperature solid-state reaction. In the Sm2Fe2O5+δ (SFO) material, Fe3+ ions occupy edge-cantered and face-cantered positions forming the tilted FeO6 octahedrons with Glazer's notation tilt a−a−c+. The ordering of the rare-earth ions at compensation temperature (Tcomp=2.3K), spin-flip transition in the range of 9.4−45.6K, and a second-type spin-reorientation transition around the anisotropy barrier with lower and higher transitional temperatures, TL=465 and TH=480K respectively. The canting of spins along with disordered spins at the surface results in a non-zero Tcomp and unsaturated magnetization. It is inferred that thermal activation of particle's moment over the anisotropy barriers (known as Kneller's law) only occurs above room temperature.

Synthesis and study of structural, electric, and dielectric behavior of La0.5Sm0.2Sr0.3Mn1-xFexO3 perovskite

In this study, the synthesized samples La0.5Sm0.2Sr0.3Mn1-xFexO3 (x = 0.05, 0.15 and 0.20) were thoroughly investigated for their crystalline structure, electrical conductivity, and dielectric properties, the samples were prepared using autocombustion method. According to the X-ray diffraction study, the samples crystallized in an orthorhombic symmetry with the Pnma space group. To measure the dielectric characteristics, impedance spectroscopy was conducted over the temperature range of 100–260 K and a frequency range of 100 Hz to 1 MHz. Measurements of AC conductivity are indeed utilized to investigate the transport properties of materials being studied. The results indicated that both temperature and frequency significantly influence the conduction process. Three theoretical hypotheses were proposed to explain the hopping conduction: overlapping large polaron tunneling (OLPT), the non-overlapping small polaron tunneling (NSPT) mechanism, and correlated barrier hopping (CBH). It is also shown that the conductivity diminishes with an increase in Fe content. La0.5Sm0.2Sr0.3Mn1-xFexO3 (x = 0.05, 0.15 and 0.20) can be used in electronic applications because of the high permittivity values confirmed by the dielectric measurements. With the aim of evaluating the distinct impacts of electrodes, grain boundaries, and grains on the complex impedance results, an appropriate alternative electrical circuit was utilized. Analysis of the sample's modulus indicated non-Debye characteristics and electrical relaxation phenomena. The materials exhibit good electrical properties, as well as strong chemical and thermal stability.

Spectroscopic, vibrational and structural insights into LaYbO3:Pr3+ and LaLuO3:Pr3+,Tb3+ perovskites at ambient and high-pressure conditions

The interlanthanide perovskites LaYbO3:Pr3+ and LaLuO3:Pr3+,Tb3+ were synthesized by a solid-state reaction and characterized at ambient conditions by means of X-ray diffraction (XRD), Raman spectroscopy and photoluminescence techniques. XRD measurements have shown that the synthesis method provided samples with pure perovskite phase (space group Pnma) for LaYbO3, while in the case of the LaLuO3 compound small traces of Lu2O3 could be found after several annealing. Up to 13 Raman active modes were observed in the Raman spectra of the studied perovskites and theoretical calculations performed for LaYbO3 allowed to assign their symmetry. Regarding their optical properties, the emission from Tb3+ ions at B sites of the ABO3 perovskite could be distinguished. Moreover, NIR emission from Pr3+ was observed in the LaLuO3 perovskite at ∼1000 nm and 1250–1600 nm. Emission in these spectral regions could be relevant for Si-based solar cell applications and fiber optic amplifiers, respectively. Moreover, the stability of both perovskites under high-pressure conditions has been studied spectroscopically, finding that LaYbO3 is stable up to 19 GPa and that LaLuO3 undergoes a possible pressure-induced phase transition at ∼21–24 GPa. This makes LaLuO3 the first interlanthanide perovskite showing phase transition under 40 GPa.