Effect of Li-substitution on piezoelectric and ferroelectric properties of (Bi0.92Na0.92−xLix)0.5Ba0.06Sr0.02TiO3 lead-free ceramics

New lead-free ceramics (Bi_0.92Na_0.92−xLi_x)_0.5Ba_0.06Sr_0.02TiO₃ have been fabricated by a conventional ceramic technique and their electrical properties have been studied. X-ray diffraction studies reveal that Li⁺, Ba²⁺ and Sr²⁺ diffuse into the Bi_0.5Na_0.5TiO₃ lattices to form a new solid solution with a pure perovskite structure. The partial substitution of Li⁺ for Na⁺ increases the remanent polarization P_r of the ceramics. Because of the large P_r and low coercive field E_c, the ceramics with x = 0.075–0.125 exhibit excellent piezoelectric properties: d₃₃ = 189–235 pC/N, k_p = 33.6–36.3% and k_t = 51.6–54.3%. The ceramics exhibit relaxor behaviors after the substitution of Li⁺ for Na⁺. Our results also suggest that polar and non-polar phases may coexist in the ceramics at temperatures above the depolarization temperature T_d.     

Investigations of half-metallic ferromagnetism and thermoelectric properties of cubic XCrO3 (X = Ca,Sr,Ba) compounds via first-principles approaches

In this paper, the physical aspects of the cubic phase XCrO₃ ($\mathrm{X}=\mathrm{Ca},\mathrm{Sr},\mathrm{Ba}$) perovskites are studied by employing full-potential linearized augmented plane wave plus local orbital ($\text{FP-LAPW}+\mathit{lo}$) method. These compounds have been found stable in ferromagnetic (FM) phase since they possess lower energy in FM phase compared to non-FM phase and their stability is also confirmed by calculating the enthalpy of formation (ΔH). The electronic structures of these compounds are analyzed with Trans and Blaha modified Becke–Johnson potential (TB-mBJ) for both spin up and spin down channels, which indicate their half-metallic characters. Analysis of density of states (DOS) shows major contributions of O-2p states in the valence band and Cr 3d-state in conduction band. A comparative analysis of crystal field effect ($\mathrm{\Delta }{\mathrm{E}}_{\mathrm{crystal}}$) and the exchange energies (direct ${\mathrm{\Delta }}_x(d)$ and indirect ${\mathrm{\Delta }}_x(pd)$) tells about the main part of electronic spin in ferromagnetic character. The calculated magnetic moments make these compounds favorable for spintronic applications. In the end, thermoelectric parameters are computed for 200 K–800 K temperature range to explore potential of these compounds for applications in renewable energy devices.     

纳米级ASnO3(A=Ca,Sr,Ba):Eu的光谱研究

采用络合溶胶-凝胶法制备出系列纳米级发光材料ASnO3(A=Ca,Sr,Ba): 1%Eu.并采用X射线衍射(XRD)、紫外光谱(UV-Vis)、透射电镜(TEM)、荧光光谱(PL)对所制备的纳米发光粉体进行表征.结果表明:所合成的物质均为具有确定结构的单一物相,并从结构上分析了其发光性质随碱土金属离子半径变化而变化的规律.     

Structural,electronic, optical and thermodynamic investigations of NaXF3 (X = Ca and Sr): First-principles calculations

The structural, electronic and optical properties for fluoro-perovskite NaXF₃ (X?=?Ca and Sr) compounds have calculated by WIEN2k code based on full potential linearized augmented plane wave (FP-LAPW) approach within density functional theory (DFT). To perform the total energy calculations, exchange-correlation energy/potential functional has been utilized into generalized gradient approximation (GGA) and local density approximation (LDA). Our evaluated results like equilibrium lattice constants, bulk moduli, and their pressure derivatives are in agreement with the available data. The electronic band structure calculation has revealed an indirect band-gap nature of NaCaF₃, while NaSrF₃ has direct band gap. Total and partial densities of states confirm the degree of localized electrons in different bands. The optical transitions in NaCaF₃ and NaSrF₃ compounds were identified by assigning corresponding peaks obtained from the dispersion relation for the imaginary part of the dielectric function. The thermodynamic properties were calculated using quasi-harmonic Debye model to account lattice vibrations. In addition, the influence of temperature and pressure effects was analyzed on bulk modulus, lattice constant, heat capacities and Debye temperature.     

Dielectric and piezoelectric properties of (1−x)Ba0.7Sr0.3TiO3−xBa0.7Ca0.3TiO3 perovskites

Dielectric and piezoelectric properties of (1?x)Ba_0.7Sr_0.3TiO₃?xBa_0.7Ca_0.3TiO₃ (BST?xBCT) (x=0.2–0.9) perovskite ceramics have been investigated. BCT has fully incorporated into BST lattice, forming a complete perovskite solid solution, whose lattice constant χ decreases almost linearly with increase in x from 0.2 to 0.4, while showing an anomalous expansion at 0.4<x≤0.6. This, together with the deviation of tetragonal–orthorhombic phase transition temperature (T_O–T) from the linear relation T_O–T (K)=?103.7x+239.3 at x=0.5, suggests that a small amount of Ca²⁺ has substituted for Ti⁴⁺. Curie temperature T_C increases linearly with increase in x from 0.2 to 0.9, which is mainly contributed to the increase of the Ba/Sr ratio. The calculated degree of relaxation (γ) is in the range of 1.41–1.53, indicating that the BST–xBCT ceramics are ferroelectric materials with diffuse phase transition. Strain and piezoelectric constant (d₃₃) decrease with increasing x, whereas planar electromechanical coefficient (k_p) reaches a maximum (17.0%) at x=0.6.     

The A(II)Cr(IV)O3 (A=Sr,Ca, Pb) ‘simple’ perovskites. Structure and properties: magnetic structure of CaCrO3

The ‘simple’ perovskites ACr(IV)O₃ (A=Sr, Ca, Pb) have been synthesized at high pressure and temperature. Their microstructure and properties are discussed. Specific heat and susceptibility measurements indicate an antiferromagnetic ordering at low temperature in CaCrO₃, which is confirmed to be of the C-type by neutron diffraction.     

Microstructure and dielectric properties of Li2CO3 doped 0.7(Ba,Sr)TiO3–0.3MgO ceramics

Microstructure and dielectric properties of Li₂CO₃ doped 0.7(Ba,Sr)TiO₃–0.3MgO ceramics for the low temperature sintering and microwave applications will be presented. In these days, low temperature sintering process has been widely spread out for the integrated electronic modules for the communication systems such as front-end modules, antenna modules, and switching modules. We have added Li₂CO₃ and MgO to (Ba,Sr)TiO₃ material to reduce the sintering temperature and improve dielectric properties such as loss tangent, and frequency dispersion.In this paper, we have discussed the crystalline properties, dielectric properties, and the microstructures of Li₂CO₃ doped 0.7(Ba,Sr)TiO₃–0.3MgO ceramics. No pyro phase was observed in the X-ray diffraction method. Very weak frequency dispersion (<0.7%) of dielectric permittivity was observed from the 1 kHz to 1 MHz range. We found that the grain size of BST is around 2 μm, while the grain size of Li₂CO₃ dope 0.7BST–0.3MgO is around 4 μm from the SEM analysis.     

Critical behavior of La0.67−y (Sr, Ba, Ca)0.33+y Mn1−x Sn x O3 (x = 0.01, 0.02, y = 0, 0.07) perovskites

The magnetic critical behavior of the manganese perovskite series $ {\text{La}}_{{0.67 - y}} {\left( {{\text{Sr,}}\,\,{\text{Ba,}}\,\,{\text{Ca}}} \right)}_{{0.33 + y}} {\text{Mn}}_{{1 - x}} {\text{Sn}}_{x} {\text{O}}_{3} The magnetic critical behavior of the manganese perovskite series (x = 0.01, 0.02, y = 0, 0.07) is studied by means of dc magnetic measurements and ¹¹⁹Sn M?ssbauer spectroscopy. The structure can be described by a rhombohedral unit cell (space group R–3C) for the samples where the A-site is occupied by La and Sr or La and Ba ions and orthorhombic unit cell (space group Pnma) for the samples where the A-site is occupied by La and Ca ions. Arrott and scaling plots show that the samples, where the A-site is occupied by La and Sr or La and Ba ions, follow the behavior of a conventional second-order ferromagnetic transition. In contrast, the samples that contain La and Ca ions in the A-site show anomalous behavior around Curie point. M?ssbauer measurements show two magnetic phases below T _c. One of them exhibits stronger exchange interactions with more rapid electron transfer between Mn³⁺/Mn⁴⁺, compared to the other.     

Magnetic and magneto-transport properties of (Ba0.8Sr0.2)2−xNdxFeMoO6

The variation in structural, magnetic and magneto-transport properties of the double perovskite system (Ba_0.8Sr_0.2)_2?xNd_xFeMoO₆ {0.0<X<0.5} induced by Nd³⁺ doping (electron doping) has been studied and compared. The samples were prepared by standard solid state reaction method in a reducing atmosphere. The parent compound showed a saturation magnetic moment value of 3.75 μ_B/f.u. at an applied field of 0.5 T and a change in magnetoresistance value up to 26% (77 K, 0.8 T). The Rietveld refinement of the X-ray diffraction data showed a continuous decrease in lattice parameters and Fe–Mo ordering with increasing Nd³⁺ doping. The Curie temperature was found to increase with Nd³⁺ doping (3 K per % of Nd) while the saturation magnetic moment values and magnetoresistance values were found to decrease. The observed variations in magnetic and magneto-transport properties of the system are explained on the basis of increasing antisite disorder defects and band filling effects induced by electron doping. We have observed the dominant role of band filling in determining the low field magnetoresistance of these systems.     

Effect of doping by Bi and Ca on ferroelectric properties and relaxor character in the (Ba1−xCax)1−3y/2BiyTiO3 solid solution

The temperature dependence of the real and imaginary parts of dielectric permittivity for (Ba_1?xCa_x)_1?3y/2Bi_yTiO₃ solid solution prepared using the solid-state reaction technique, suggests that the relaxor character in this solid solution depends strongly on the Bi than on the Ca doping percent.X-ray diffraction analysis show that Bi doping can be fully incorporated into the perovskite lattice of (Ba_1?xCa_x)TiO₃. Doping with Bi causes remarkable shift of the maximum of dielectric permittivity (T_m) at low temperatures and the evolution of ε′_r exhibiting strong frequency dispersion. For some compositions, we have observed a typical behavior of a well-known relaxors. On the other hand, we pointed out that the relaxor character is linked principally to the nature of the substituting element and not to the heterogeneity in general. So the Ca element does not have the same effect as the Bi one.     

Negative Ca− and Ba− ions of large radius on the surface and in the volume of liquid helium

Negative Ca⁻ and Ba⁻ ions of large radii on the surface of and in bulk liquid helium have been studied. Our results indicate that these ions are adsorbed on the helium surface. Ions on free liquid helium surfaces have not been studied previously because it was thought impossible to confine them on the surface. Ca⁻ and Ba⁻ ions have very low binding energies, therefore, like electrons, they form a bubble of large radius in bulk helium, whose energy is higher than on the surface. The behavior of ions on the surface exhibits a number of previously unknown features owing to their large masses and strong localization in the horizontal plane. Even in the absence of confining electric field, a hole is formed under an ion due to the polarization attraction between the liquid helium and the charged ion. This hole formation reduces the ion mobility by several orders of magnitude and increases its effective mass severalfold. The critical density of electrons and ions is approximately the same on the surfaces of thin and thick helium films. Zh. éksp. Teor. Fiz. 115, 593–604 (February 1999)     

M3La(BO3)3(M=Ca,Sr,Ba)基质中Eu3+的光致发光

研究了M3La(BO3)3(M=Ca,Sr,Ba)基质中Eu3+的激发光谱和发射光谱.结果表明,最强激发峰均为394nm,并均有λ<300nm的较强电荷迁移带;按Ca-Sr-Ba的顺序,各发射峰峰值逐渐红移;Eu3+的最佳发射浓度分别为xEu3+=0.10、0.09、0.20;Eu3+的5D0→7F2跃迁发射的浓度猝灭机理分别为电偶极-四极、电偶极-偶极和电偶极-偶极相互作用.     

LiM(M=Ca,Sr,Ba)BO_3∶Tb~(3+)材料光谱特性研究

采用固相法制备了绿色LiM(M=Ca,Sr,Ba)BO3:Tb3+发光材料.测量结果显示材料均可被紫外(350～410 nm)光激发,发射绿光.研究了Tb3+浓度对材料发射光谱的影响,结果显示,随Tb3+浓度的增大,发射光谱峰位未发生变化,但其强度呈现出先增大后减小的趋势,即:存在浓度猝灭效应.加入电荷补偿剂Li+,Na+和K+提高了LiM(M=Ca,Sr,Ba)BO3:Tb抖材料的发射强度.     

Structural,dielectric and optical properties of sol–gel synthesized 0.55Ba(Zr0.2Ti0.8)O3–0.45(Ba0.7Ca0.3)TiO3 ceramic

Lead-free polycrystalline ceramic 0.55Ba(Zr_0.2Ti_0.8)O₃–0.45(Ba_0.7Ca_0.3)TiO₃ (0.55BZT–0.45BCT) was synthesized by sol–gel method and the dielectric, impedance and optical properties of this ceramic were studied. X-ray diffraction analysis revealed the formation of pure perovskite phase with the coexistence of tetragonal and rhombohedral structures. The high value of dielectric constant (~6,985) with low dielectric loss (~0.013) was obtained at room temperature. Bulk and grain boundary resistances were measured by impedance analysis, which revealed negative temperature coefficient of resistance behaviour in this ceramic. The estimated value of optical band gap was found to be ~3.16 eV, which is related to the presence of intermediate energy levels. Two emission bands one at ~365 nm (UV region) and another at ~465 nm (blue region) were observed in photoluminescence spectrum at room temperature.