Relaxor Behaviour and Ferroelectric Properties of （Li0.12Na0.88） （Nb0.9-xWa0.10Sbx）O3 Lead-Free Ceramics

New lead-free ceramics （Lio.12Na0.88） （Nbo.9-x Ta0.10 Sbx） 03 （0.01 × 0.06） are synthesized by solid-state reaction method. The dielectric, piezoelectric and ferroelectric properties of the ceramics are studied. The dielectric constant dependence with temperature and frequency of the ceramic specimen with x = 0.04 shows typical characteristics of relaxor ferroelectrics, and the Vogel-Fulcher relationship is fulfilled. The dielectric behaviour and its relation to the phase transition phenomena are discussed. The polarization hysteresis loops at room temperature are also measured.     

Dielectric and Ferroelectric Properties of La-Doped SrBi2Nb2O9 Ceramics

Sr1-xLa2x/3Bi2Nb20O （0 ≤ x ≤0.2） ceramic samples are prepared by the solid-state reaction method. Their structure, dielectric and ferroelectric properties are investigated. The incorporation of La^3＋ improves the den- sification and decreases the grain size of the ceramics without changing the crystal structure. The remanent polarization 2PT increases with increasing La content and reaches a maximum value of 22.8μC/cm^2 at x = 0.125, which is approximately 60% larger than that of pure SrBi2Nb2O9. The Curie temperature keeps almost unchanged at a value of about 440℃. The relationship between doping and the ferroeleetrie and dielectric properties are discussed.     

Polarized Micro-Raman Study of the Temperature-Induced Phase Transition In 0.67 Pb（Mg1/3Nb2/3）O3-0.33PbTiO3

Polarized Raman spectra of ferroelectric relaxor 0.67Pb（Mg1/3Nb2/3）O3-0.33PbTiO3 （0.67PMN-0.33PT） single crystal are systematically investigated in a wide temperature range from -196 to 600℃ by micro-Raman scattering technique. The results clearly reveal that there are two structural phase transitions in such composite ferroelectric relaxor： the rhombohedral-tetragonal （R- T） phase transition and the tetragonal-cubic （T- C） phase transition. The former occurs at about TR-T =34℃, corresponding to the vanishing of the soft A1 mode at 106cm^-1 recorded in the parallel polarization. The latter appears at about TT-C = 144℃, which can be verified with the vanishing of mode at 780cm^-1 measured in the crossed polarization.     

Dielectric and ferroelectric properties of Sr_4CaSmTi_3Nb_7O_(30) with tetragonal tungsten bronze structure

Sr4CaSmTi3Nb7O30ceramics are synthesized and indexed as tetragonal tungsten bronze structure. The dielectric behavior and ferroelectric nature are investigated. Three dielectric anomalies are observed. The phase transition is a displacive phase transition with some diffusive characteristics, which indicates possible compositional variations within the materials on the microscopic scale. The weak distortion disappears in cooling process for differential scanning calorimetry measurement, and the large depression of Curie–Weiss temperature T0 indicates the difficulty in forming macroferroelectric domain. The ferroelectric nature in these filled tungsten bronze niobates originates from the off-center displacement of Bsite cations, but they are primarily dominated by A-site cation occupation. Both the radius and the valence of A1-site cations play an important role on ferroelectric properties of the filled tungsten bronze compounds. Existence of spontaneous polarization with a remanent polarization of 0.16 μC/cm2 a coercive field of Ec = 11.74 kV/cm confirms the room-temperature ferroelectric nature of Sr4CaSmTi3Nb7O30 ceramics.     

Molecular Dynamics Study of Stability of Solid Solutions and Amorphous Phase in the Cu-Al System

The relative stability of fee and bcc solid solutions and amorphous phase with different compositions in the Cu-Al system is studied by molecular dynamics simulations with n-body potentials. For CU1-xAlx alloys, the calculations show that the fee solid solution has the lowest energies in the composition region with x 〈 0.32 or x 〉 0.72, while the bcc solid solution has the lowest energies in the central composition range, in agreement with the ball-milling experiments that a single bcc solid solution with 0.30 〈 x 〈 0.70 is obtained. The evolution of structures in solid solutions and amorphous phase is studied by the coordination number （CN） and bond-length analysis so as to unveil the underlying physics. It is found that the energy sequence among three phases is determined by the competition in energy change originating from the bond length and CNs （or the number of bonds）.     

Monte Carlo simulation on dielectric relaxation and dipole cluster state in relaxor ferroelectrics

The Ginzburg--Landau theory on ferroelectrics with random field induced by dipole defects is studied by using Monte Carlo simulation, in order to investigate the dipole configuration and the dielectric relaxation of relaxor ferroelectrics. With the increase of random field, the dipole configuration evolves from the long-range ferroelectric order into the coexistence of short-range dipole-clusters and less polarized matrix. The dipole-cluster phase above the transition temperature and superparaelectric fluctuations far below this temperature are identified for the relaxor ferroelectrics. We investigate the frequency dispersion and the time-domain spectrum of the dielectric relaxation, demonstrating the Vogel--Fulcher relationship and the multi-peaked time-domain distribution of the dielectric relaxation.     

Different effects of Ce-doping on orbital and spin ordering in perovskite vanadate Sm_(1-χ)Ce_χ VO_3

The effects of Ce-doping on the phase transition of the orbital/spin ordering (OO/SO) are studied through the structural, magnetic, and electrical transport measurements of perovskite vanadate Sm1 x Ce x VO 3 . The measurements of structure show that the cell volume decreases as x≤ 0.05, and then increases as Ce-doping level increases further. The OO state exists but is suppressed progressively in the sample with x≤0.2 and disappears as x0.2. The temperature at which the C-type SO transition is present increases monotonically with Ce-doping level increasing. The temperature dependence of resistivity for each of the samples shows a semiconducting transport behavior and the transport can be well described by the thermal activation model. The activation energy first decreases as x ≤0.2, and then increases for further doping. The obtained results are discussed in terms of the mixed-valent state of the doped-Ce ions.     

Ferroelectric Transition and Curie-Weiss Behavior in Some Filled Tungsten Bronze Ceramics

Ferroelectric transitions in filled tungsten bronze ceramics Sr4R2Ti4Nb6O30, Sr5RTi3NbT030 （R=La, Nb, Sm ＆ Eu） and Ba4Nd2Ti4Nb6030 are investigated with differential scanning calorimetry （DSC） and the Curie- Weiss law fitting to the dielectric constant. The magnitude of the Curie Weiss constant C - 105 suggests displacement-type ferroelectric transition in the present compounds. The large AT difference between dielectric maximum temperature Tm and Curie-Weiss temperature To） values indicate the difficult formation of ferroeleetric domains or polar nanoregions in the present compounds and also the characteristics of the first order ferroelectric transition. Three categories are suggested for the ferroelectric transition in the above tungsten bronzes. The ferroelectric transition exhibits large thermal hysteresis. According to the DSC results, gradual recovery of the endothermic peak occurs after aging at temperature below the Curie point, indicating the gradual stability of the ferroelectric phase after cooling from the high-temperature para-electric phase. The relationship between the Curie- Weiss law fitting parameters and the nature of the ferroelectric transition is modified for the filled tungsten bronzes.     

Improved multiferroic properties of La-doped 0.6BiFeO3—0.4SrTiO3 solid solution ceramics

The 0.6（Bi1-xLax）FeO 3-0.4SrTiO 3（x = 0,0.1） multiferroic ceramics are prepared by a modified Pechini method to study the effect of substitution of SrTiO3 and La in BiFeO3.The X-ray diffraction patterns confirm the single phase characteristics of all the compositions each with a rhombohedral structure.The magnetic properties of the ceramics are significantly improved by a solid solution with SrTiO3 and substitution of La.The values of the dielectric constant ε r and loss tangent tan δ of all the samples decrease with increasing frequency and become constant at room temperature.The La-doped 0.6BiFeO3-0.4SrTiO3 ceramics exhibit improved dielectric and ferroelectric properties,with higher dielectric constant enhanced remnant polarization（Pr） and lower leakage current at room temperature.Compared with a anti-ferromagnetic BiFeO3 compound,the 0.6（Bi0.9La0.1）FeO3-0.4SrTiO3 sample shows the optimal ferromagnetism with remnant magnetization M r ～ 0.135 emμ/g and ferroelectricity with Pr ～ 5.94 μC/cm 2 at room temperature.     

Room-Temperature Magnetism Realized by Doping Fe into Ferroelectric LiTaO3

We synthesize LiTal-x FexO3-σ （LTFO） remain single phase up to x = 0.09 ceramics by the conventional solid-state reaction method. The samples The magnetic measurements show that the doping of Fe successfully realizes ferromagnetism of LTFO at room temperature. The dielectric measurements indicate that LTFO is ferroelectric, similarly to LiTaO3 （LTO）, but its ferroelectric Curie temperature seems to decrease with the increasing Fe content. By means of doping Fe ions into LTO, the coexistence of spontaneous electric polarization and spontaneous magnetic moment is realized at room temperature.     

Long—Range Effects on the Pyroelectric Coefficient of Ferroelectric Superlattice

Long-range effects on the pyroelectric coefficient of a ferroelectric superlattice consisting of two different ferroelectric materials are investigated based on the transverse Ising model.The effects of the interfacial coupling and the thickness of one period on the pyroelectric coefficient of the ferroelectric superlattics are studied by taking into account the long-range interaction.It is found that with the increase of the strength of the long-range interaction,the pyroelectric coefficient decreases when the temperature is lower than the phase transition temperature;the mumber of the pyroelectric peaks decreases gradually and the phase transition temperature increases,It is also found that with the decrease of the interfacial coupling and the thickness of one period.the phase transition temperature and the number of the pyroelectric peaks decrease.     

Structure instability-induced high dielectric properties in[001]-oriented 0.68Pb(Mg_(1/3)Nb_(2/3))O_3–0.33PbTiO_3 crystals

The structure evolution and origin of ultrahigh dielectric properties have been investigated in the low temperature range from 300 K to 5 K for [001]-oriented 0.68 Pb(Mg_(1/3)Nb_(2/3))O_3–0.33PbTiO_3(PMN–33 PT) crystal. The experimental results reveal that a short-range ordered monoclinic MAis the dominant phase at ambient temperature. As the temperature drops below 270 K, the MAtransforms into monoclinic MC, and the MCremains stable until 5 K. Although no phase transition occurs from 5 K to 245 K, polar nanoregions(PNRs) display visible changes. The instability of PNRs is suggested as responsible for the low temperature relaxation. The ultrahigh dielectric constant at room temperature is associated with the instability of local structure and phase transition. Our research provides an insight into the design of high-performance ferroelectric materials.     

Phase Transition and High Piezoactivity of Sr Doped Lead-Free （Na0.53K0.422Li0.048） （Nb0.89Sb0.06Wa0.05）O3 Ceramics

Lead-free piezoelectric ceramics （Na0.53K0.422Li0.048 ） （Nb0.89Sb0.06 Ta0.05 ）03 （NKLNST） ＋ x tool SrCO3 are prepared by conventional solid state sintering method. The specimens with pure perovskite structure show tetragonal phase at x 〈 0.01, and become pseudo-cubic phase at x 〉 0.02. A lattice parameter discontinuity is found in the specimens with 0.004 〈 x 〈 0.0075, along with a great improvement in piezoactivity. The 0.004 mol SrCO3 added NKLNST ceramics possesses outstanding performances of kp = 0.53, kt = 0.26, and d33=309 pC/N. Moreover, the Sr^2＋ modification inhibits the gra/n growth, decreases the Curie temperature, and induces a diffuse phase transition.     

KNN Based Lead-Free Piezoceramics with Improved Thermal Stability

Lead-free piezoelectric ceramics （1 - x） （Na0.53K0.404 Li0.066）Nb0.92 Sb0.08 03 ＋xZrTiO3 are fabricated by conventional solid-state sintering method, and their dielectric and piezoelectric characteristics are investigated. With the addition of SrTiO3, the growth of the grain size is restrained, meanwhile the phase transition temperature of orthorhombic-tetragonal is shifted below room temperature. It is found that the ceramics with x = 0.010 exhibit excellent piezoelectric properties （d33 = 220 pC/N, kp = 41%, kt = 39%） and improved thermal stability around room temperature. The results indicate that these materials are promising lead-free piezoceramics for practical operations.     

Size Driven Ferroelectric—paraelectric Phase Transition from the Surface Energy Viewpoint

The size driven ferroelectric-paraelectric phase transition in a ferroelectric of small size is studied within the framework of Landau phase transition theory.The transition is a consequence of the competition between decreasing the volume free energy by polarization and increasing the surface energy of the ferroelectric phase,which has a surface energy density higher than that in the paraelectric phase.A simple expression for the ferroelectric critical size as a function of the Landau free energy coefficients and the surface energy density is derived.     

A method based on magnetic moment measurement to identify the structural transition of quenched Fe1-xGax（x=0.15-0.30） alloys

A method based on the measurement of Fe average atomic magnetic moment to identify the structural transition caused by the increase of Ga content in quenched Fe 1-x Ga x alloys (0.15 ≤ x ≤ 0.30) is proposed.The quenched Fe 1-x Ga x alloys show a change of the Fe average atomic magnetic moment from 2.25μ B to 1.78μ B and then to 1.58μ B,which corresponds to the structural transition from A2 to D0 3 and then to B2.The relationship between the structure and the magnetostriction is clarified,and the maximum magnetostriction appears in the A2 phase.The variation tendency of the magnetostriction is well characterized,which also reflects the structural transition.     

Effect of Gd doping on the magnetism and work function of Fe1-xGdx/Fe（001）

The magnetism and work function Ф of Fe1-xGdx/Fe （001） films have been investigated using first-principles methods based on the density functional theory. The calculated results reveal that Gd doping on the Fe （001） surface would greatly affect the geometrical structure of the system. The restruction of the surface atoms leads to the transition of magnetic coupling between Gd and Fe atoms from ferromagnetic （FM） for 0.5 ≤x ≤ 0.75 to antiferromagnetic （AFM） for x = 1.0. For Fe1-xGdx/Fe （001） （x = 0.25, 0.5, 0.75, 1.0）, the charge transfer from Gd to Fe leads to a positive dipole formed on the surface, which is responsible for the decrease of the work function. Moreover, it is found that the magnetic moments of Fe and Gd on the surface layer can be strongly influenced by Gd doping. The changes of the work function and magnetism for Fe1-xGdx/Fe （001） can be explained by the electron transfer, the magnetic coupling interaction between Gd and Fe atoms, and the complex surface restruction. Our work strongly suggests that the doping of the metal with a low work function is a promising way for modulating the work function of the magnetic metal gate.     

Effects of A1 site occupation on dielectric and ferroelectric properties of Sr4CaRTi3Nb7O30（R=Ce,Eu） tungsten bronze ceramics

Sr4Ca RTi3Nb7O30（R = Ce, Eu） tungsten bronze ceramics are prepared by a standard solid state reaction method. The effects of A1 site occupation on the dielectric and ferroelectric properties of Sr4 Ca RTi3Nb7O30（R = Ce, Eu） tetragonal tungsten bronzes are investigated. The Sr4 Ca Ce Ti3Nb7O30 shows a normal transition behavior due to the closer size ion occupation in A1 sites, which could suppress the distortion of B2 octahedra effectively. Sr4 Ca Eu Ti3Nb7O30 ceramic exhibits two dielectric anomalies, which might be related to the fact that the large radius difference between Ca^2＋ and Eu^3＋ could lead to the uneven distribution of Ca^2＋ and Eu^3＋ in A1 sites and form two slightly different kinds of compositions with different transition temperatures in the structure. Our results indicate that the ionic radius difference in A1 sites plays an important role in determining the dielectric and ferroelectric natures of the filled tungsten bronze ceramics. Polarization–electric field（P–E） curves are evaluated at room temperature and both of them show hysteresis loops. Sr4 Ca Ce Ti3Nb7O30 shows a fat hysteresis loop, indicating the long-range ferroelectric order in the ceramic. The current density–electric field（J–E） curves are measured at room temperature with a largest leakage current density of ～ 10^-6A/cm^2, indicating that their leakage currents are rather low.     

Near-zero thermal expansion of In_(2(1-x))(HfMg)_xMo_3O_(12) with tailored phase transition

Solid solutions of In_(2(1-x)(HfMg)_xMo_3O_(12) are synthesized by solid state reaction with the aim to reduce the phase transition temperature of In_2Mo_3O_(12) and improve its thermal expansion property.The effects of(HfMg)~(6+) incorporation on the phase transition and thermal expansion are investigated.It is shown that the monoclinic-to-orthorhombic phase transition temperature obviously decreases and the coefficient of thermal expansion(CTE) of the orthorhombic becomes less negative and approaches to zero with increasing the content of(HfMg)~(6+).A near zero thermal expansion covering the case at room temperature(RT) is achieved for the solid solutions with x ≥ 0.85,implying potential applications of this material in many fields.     

Pyroelectricity and Spontaneous Polarization in [111] Oriented 0.955 Pb（Zn1/3Nb2/3）O3-0.045PbTiO3 Single Crystals

We report that the measurements of the pyroelectric current of the pre-poled [111]-oriented 0.955 Pb（Zn1/3Nb2/3） O3-0.045 PbTiO3 （PZN-4.5%PT） single crystals can shed some light on the phase transition and spontaneous polarization characters of this material in a similar way to measures of remanent polarization and dielectric properties. The pyroelectric current is measured and the corresponding spontaneous polarization is calculated as a function of temperature with various poling fields added during cooling the sample from 200℃ to room temperature. Critical electric field of 0.061 k V/cm is found to be essential to induce the intermediate ferroelectric orthorhombic phase between the ferroelectric rhombohedral and tetragonal phases. Below the critical field, the polarization increases almost linearly with the increase of poling field. At the critical field, the polarization at 30OC increases abruptly from 14μC/cm^2 for a poling field of O.06kV/cm to 29.5μC/cm^2 for a poling field of 0.061 kV/cm, and afterwards, increases slowly and saturates to 31 μC/cm^2 for poling fields beyond 0.55 kV/cm.