温差电材料Bi_(0.5)Sb_(1.5)Te_3双掺杂调控及热电性能研究

采用真空熔炼及热压方法制备Ga和Na共掺杂Bi0.5Sb1.5Te3热电材料。利用X射线衍射(XRD)技术对样品的物相结构进行了表征。在300~500K测量温度范围内,共掺杂样品的Seebeck系数均低于Bi0.5Sb1.5Te3的Seebeck系数,并随着Ga掺杂量的增加,Seebeck系数逐渐减小。共掺杂使样品的载流子浓度增加,从而有效地提高了材料的电导率。所有共掺杂样品的热导率都大于Bi0.5Sb1.5Te3的热导率,在Na掺杂浓度不变的情况下,随着Ga掺杂浓度的增加,热导率逐步增加,Na0.04Bi0.5Sb1.46-xGaxTe3(x=0.12)样品具有高电导率的同时,Seebeck系数和热导率的损失不是很大,材料的热电性能得到了改善,在300~475K测量温度范围内的热电性能优值与Bi0.5Sb1.5Te3相比较均有所提高,325K时的最大ZT值为1.4。     

The pressure effects on electronic,thermoelectric, thermodynamic,and optical features of Li3Bi

First-principles electronic, thermoelectric, thermodynamic, and optical calculations of an alkali pnictide compound, Li₃Bi, are implemented by WIEN2k, BoltzTraP and Gibbs2 using density functional theory in the presence of spin–orbit coupling. The generalized gradient approximation and modified Becke and Janson functionals with the generalized gradient approximation are utilized for the treatment of exchange and correlation potential. The Li₃Bi electronic band structure indicates that this compound is a semiconductor at zero pressure. The energy band gap of this compound closes at a pressure of 6.0 GPa. In contrast, low pressures enhance the energy band gap and reduce the band width of the valence and conduction bands. The pressure and temperature effects on the thermoelectric and thermodynamic performance of this compound are investigated. This results reveal (1) an increase in the power factor values under high temperatures and low pressures, (2) a reduction in the thermal expansion and the specific heat capacity at constant volume and an increase in the Debye temperature under high pressures at constant temperature. Also, the evaluation of optical properties under various hydrostatic pressures shows an increase in the static real part of the dielectric function and the static reflectivity of Li₃Bi at a pressure of 6 GPa.

     

Atomistic calculations of the electronic, thermal, and thermoelectric properties of ultra-thin Si layers

Low-dimensional semiconductors are considered promising candidates for thermoelectric applications with enhanced performance because of a drastic reduction in their thermal conductivity, κ _l , and possibilities of enhanced power factors. This is also the case for traditionally poor thermoelectric materials such as silicon. This work presents atomistic simulations for the electronic, thermal, and thermoelectric properties of ultra-thin Si layers of thicknesses below 10 nm. The Linearized Boltzmann theory is coupled: (i) to the atomistic sp³d⁵s^? tight-binding (TB) model for the electronic properties of the thin layers, and (ii) to the modified valence-force-field method (MVFF) for the calculation of the thermal conductivity of the thin layers. We calculate the room temperature electrical conductivity, Seebeck coefficient, power factor, thermal conductivity, and ZT figure of merit of ultra-thin p-type Si layers (UTLs). We describe the numerical formulation of coupling TB and MVFF to the linearized Boltzmann transport formalism. The properties of UTLs are highly anisotropic, and optimized thermoelectric properties can be achieved by the choice of the appropriate transport and confinement orientations, as well as layer thickness.     

Dielectric and piezoelectric properties of (K0.5Na0.5)(Nb0.97Sb0.03)O3 ceramics doped with Bi2O3

In this study, to develop the optimal composition of ceramics for low loss piezoelectric actuator and ultrasonic motor applications, (K_0.5Na_0.5)(Nb_0.97Sb_0.03)O₃?+?0.009 K_5.4Cu_1.3Ta₁₀O₂₉?+?0.1wt%Li₂CO₃?+?xwt%Bi₂O₃(x?=?0?~?0.9) lead-free piezoelectric ceramics with a fixed quantity of 0.009 K_5.4Cu_1.3Ta₁₀O₂₉ (abbreviated as KCT) were manufactured using the conventional solid-state solution processes. The effects of Bi₂O₃ addition on the dielectric and piezoelectric properties were then investigated. From the X-ray diffraction analysis result the specimens demonstrated orthorhombic symmetry when Bi₂O₃ was less 0.6?wt%, a pseudo-cubic phase appeared when Bi₂O₃ was 0.9?wt%. SEM images indicate that a small amount of Bi₂O₃ addition affect the microstructure. The piezoelectric properties of (K_0.5Na_0.5)(Nb_0.97Sb_0.03)O₃ ceramics were greatly improved by a certain amount of Bi₂O₃ addition. Excellent properties of density?=?4.54?g/cm³, relative densities?=?98.5?%, k _p?=?0.468, Q _m?=?1,715 and d ₃₃?=?183 pC/N were obtained with a composition of 0.3?wt% Bi₂O₃     

Piezoelectric properties and domain structure of the orthorhombic (K,Na,Li)(Nb,Ta,Sb)O3 single crystal

ABSTRACT

In this work, (K,Na,Li)(Nb,Ta,Sb)O₃ (KNLNTS) crystal is in the orthorhombic phase at room temperature. The orthorhombic-tetragonal phase transition temperature is 50.0°C, and the Curie temperature T_C of the tetragonal-cubic phase transition temperature is 253.8°C. The crystal is poled, the defects were “pinned” in specific position, and has positive effect in domain wall motions and better ferroelectric property (P_r is 6.49 µC/cm², E_c is 6.66 kV/cm). The domain configrations of the crystal were studied by means of a polarizing light microscopy (PLM), with poling along [100]_C direction.     

Structural,electrical, and magnetic properties of mullite-type Bi2Fe4O9 ceramic

Journal of Electroceramics - In this work, the synthesis results are reported, and the structural, electrical and magnetic properties of orthorhombic (Pbam) structured bulk Bi2Fe4O9 synthesized...     

Synthesis and Structural Characterization of (SrCa)Bi 2 Ta 2 O 9 Ceramics

(Sr 1 m x Ca x )Bi 2 Ta 2 O 9 ceramics with compositions x = 0, 0.2, 0.4, 0.6, 0.8 and 1.0 have been synthesized by conventional solid state route. Structural analysis of pellets were investigated using x-ray diffraction and micro-Raman spectroscopy. Substitution of Ca ion at Sr site was confirmed by decrease in lattice parameter calculated from x-ray diffraction data. Lowest Raman modes at 28.7 and 58 cm m 1 were found to increase in frequency with increasing Ca concentration and this was attributed to the lower mass and lower ionic radii of Ca. The temperature variation Raman studies showed a softening of the lowest phonon mode with increasing temperature. The increase in transition temperature with concentration of Ca in SBT compounds may be due to the decrease in tolerance factor.     

Structural and dielectric properties of (1-x)Bi(Ni1/2Ti1/2)O3-xPbTiO3 ceramics with the morphotropic phase boundary composition

(1-x)Bi(Ni_1/2Ti_1/2)O₃-xPbTiO₃ (BNT-xPT, 0.42????x????0.52) ceramics were prepared by the conventional mixed oxide method. With the increase of PT content, a change from rhombohedral phase to tetragonal phases, and while the morphotropic phase boundary (MPB) composition is located in the range of x?=?0.46?C0.48. For x?=?0.46 sample, it exhibited a high Curie temperature (T _c) of 410?°C and good piezoelectric properties, d ₃₃ ~230pC/N, k _p ~40?% and k _t ~22?%. For 0.46????x????0.50 samples, it can be found that depolarization temperature is around 350?°C by thermal depoling method.     

Normal sintering and electric properties of (K,Na,Li)(Nb,Sb)O3 lead-free piezoelectric ceramics

0.94(K₀₅Na_0.5)NbO₃?0.03LiNbO₃?0.03LiSbO₃ (KNLNS) lead-free piezoelectric ceramics were prepared by conventional mixed oxide route with normal sintering method. The samples were sintered at different temperatures with KNLNS powder atmosphere to prevent volatilization of alkali metal oxides at high temperature. The effects of sintering temperature on the density, structure and electric properties of KNLNS ceramics were studied. X-ray diffraction (XRD) results showed that the crystal structure of the crushed KNLNS ceramic powders were pure perovskite phase with tetragonal phase structure when sintered at T????1080°C. However a K₃Li₂Nb₅O₁₅ phase with tetragonal tungsten bronze structure began to appear when the sintering temperature was higher than 1080°C. The optimum sintering temperature was 1080°C which was determined by measuring the density of the samples. Scanning electron microscope (SEM) observation indicated that the sintering temperature had a great effect on the microstructure of the samples. The KNLNS ceramics under the optimum sintering temperature showed excellent electric properties: ???=?4.29 g/cm³, ?? _r?=?826, tan???=?0.049, d ₃₃?=?190 pC/N, k _p?=?0.30, and T _c?=?385°C. The results show that the KNLNS ceramics are promising candidate for lead-free piezoelectric ceramics.     

The sintering behavior and microwave dielectric properties of Mg4(Nb,Sb)2O9 ceramics

The sintering behavior, microstructure and microwave dielectric properties of Mg₄(Nb_2?x Sb _x )O₉ (0?≤?x?≤?2) solid solutions were investigated systematically by X-ray diffraction(XRD), scanning electron microscopy(SEM) and a network analyzer. The solid solutions of Mg₄(Nb_2?x Sb _x )O₉ was formed with x value being no more than 1.6. The dielectric constant (?) of the sintered ceramics decreased from 13.06 to 6.28 with Sb content x from 0 to 1.6. With a substitution of Sb⁵⁺ for Nb⁵⁺ (0.04?≤?x?≤?0.08), the sintering temperature of Mg₄Nb₂O₉ ceramics was decreased from 1400 to 1300 °C without degradation of the Qf values. The optimum microwave dielectric properties of ??～?12.26, Qf?～?168,450 GHz, and τ _f?～??56.4 ppm/°C were obtained in the composition of Mg₄(Nb_1.6Sb_0.4)O₉ sintered at 1300 °C.     

Tuning electronic,magnetic, and transport properties of blue phosphorene by substitutional doping: a first-principles study

Using first-principles density functional theory, we investigated the geometrical structure and magnetic, electronic, and transport properties of blue phosphorene doped with a multitude of substitutional impurities, including both metallic and semiconducting elements. Substitutional dopants modified the properties of blue phosphorene. B, Al, Ga, Sb, Bi, and Sc substitutional dopants led to an indirect- to direct-gap transition. Blue phosphorene with C, Si, Ge, Sn, O, S, Se, and Fe substitutional dopant atoms showed dilute magnetic semiconducting properties. Furthermore, the effective mass as well as zero-bias transmission spectrum of this material support the fact that the transport properties of blue phosphorene are modified by the above-mentioned impurity atoms. The effective mass of holes for the Bi- and Sb-doped systems was about \(0.138m_{0}\), implying that these systems have high hole mobility. Meanwhile, the Sb-doped system exhibited the smallest effective mass for electrons of \(0.244m_{0}\). The results of this study illustrate that doped blue phosphorene exhibits different electronic, magnetic, transport, and optical properties from pristine blue phosphorene, which may enable many useful applications in nanoelectronics, gas sensing, optoelectronics, and spintronics.     

Piezoelectric properties of Li, Sb, and Ta co-doped (K,Na)NbO3 ceramics with fine grain size sintered by SPS method

(Na_0.52?K_0.44Li_0.04)(Nb_0.86Ta_0.06Sb_0.08)O₃ (LTS-KNN) nano-powders with the size of 11–34 nm were prepared by a sol–gel method. Using the nano-powders, LTS-KNN ceramics with fine grain size of 200–400 nm and high density were fabricated by spark plasma sintering. The satisfied piezoelectricity is obtained, such as d ^* ₃₃?~?481 pm/V, d ₃₃?~?296 pC/N, K _p?~?49.7 %, ε ₃₃ ^T /ε ₀?~?920, tanδ?~?0.025 at 1 kHz and relative density is 99.4 %, respectively. It is shown that nano-powders are suitable to prepare fine-grained potassium-sodium niobate ceramics with satisfied properties.     

Low-Temperature Process of Ferroelectric (Y0.95,Bi0.05)MnO3 Thin Films and Their Structural and Electrical Properties

[(Y_0.95,Bi_0.05)MnO₃] (YBM) films have been grown on Y₂O₃ buffered Si (001) by pulsed-laser deposition (PLD). We have compared the structural and dielectric properties of YBM films with those of typical YMnO₃ films from the viewpoint of lowering the process temperature. The highly c-axis oriented YBM film have been obtained on Y₂O₃/Si (001) at 700°C, which is a significantly reduced growth temperature from that of typical YMnO₃ films (850°C). The Bi modification was effective for the low temperature processing of YBM films. These highly c-axis oriented YBM films was obtained only at high ambient oxygen pressures, for example above 100 mTorr, contrary to YMnO₃ films which requires low ambient oxygen pressure for the growth of c-axis preferred orientation. The dielectric constant and dissipation factor was 29 and 0.017 at 1 MHz, respectively. The memory window due to ferroelectric polarization switching was found in a capacitance-voltage (C-V) characteristic. The YBM/Y₂O₃/Si structure with above characteristics of YBM films exhibited the C-V memory window of 1.2 V at a sweep voltage of 5 V. The flat-band voltage shifted symmetrically with increasing the sweep voltage up to 8 V due to little charge injection from Si. As a result, the memory window increased progressively with increasing the sweep voltage and amounted to 2 V at a sweep voltage of 8 V. The leakage current density was below 5 × 10^?7 A/cm² at a bias voltage of 8 V.     

具有防声共振技术的HID灯电子镇流器设计

目前国外有不少公司都在研制高强度放电(HID)灯电子镇流器,但普遍存在的问题是可靠性差、易损坏、成本高.虽然HID灯电子镇流器节能效果显著,但推广应用不够.研究了主电路产生70 W功率的高频信号以点燃HID灯,以及声共振抑制电路.重点解决的关键问题是利用L6562专用集成电路研制有源功率因数校正电路及抑制声共振电路.     

Water molecule adsorption properties on surfaces of MVO4 (M = In, Y, Bi) photo-catalysts

Water molecule adsorption properties at the surface of InVO₄, YVO₄, and BiVO₄, which have indicated promising photocatalytic properties, have been investigated using an ab initio molecular dynamics approach. It was found that the water molecules were adsorbed dissociatively to the three-fold oxygen coordinated V (3c-V) sites on the (001) surface and 4c-In sites on the (100) surface of InVO₄, however, in a non-dissociated molecular form on the 5c-Bi site on the (100) surface of BiVO₄ and the 7c-Y site on the (010) surface of YVO₄. The adsorption energies of water molecule and geometries of the systems with adsorbed water molecules are reported in detail.     

Ferroelectric properties of (Bi3.15 Nd 0.85 )Ti 3 O 12 with decreasing film thickness

Film texture and ferroelectric behaviors of (Bi_3.15Nd_0.85)Ti₃O₁₂ (BNdT) of layered-perovskite structure deposited on Pt/TiO₂/Si substrate are dependent on the film thickness. When the film thickness is reduced from ∼240 to ∼120 nm, BNdT grains evolve from a rod-like morphology to a spherical morphology, accompanied by a decrease in average grain size. At the same time, P-E hysteresis transforms from a square-shaped hysteresis loop (2Pr ∼24.1 μC/cm² at 240 nm) to a relative slimmer hysteresis loop (with a lower 2Pr = 19.8 μC/cm² at 120 nm). The nonvolatile polarization (Δ P) shows a maximum at the film thickness of 160 nm, where Δ P was measured to be 14.7 μC/cm² and 6.8 μC/cm² at 5 V and 3 V, respectively. A small amount of excess bismuth in the film thickness of 130 nm, introduced by co-sputtering, can lead to a much enhanced remanent polarization (2Pr of 21.3 μC/cm² at 5 V and 15.2 μC/cm²at 3 V), which is promising for low voltage FRAM applications.     

Structural and electrical transport properties of Pr-doped SrTi 0.93 Co 0.07 O 3-δ a novel SOEC fuel electrode materials

Solid Oxide Electrolyzer Cells (SOECs) are very promising electrochemical devices for the production of syngas (H2/CO) by H2O and CO2 co-electrolysis. The structure, microstructure and electrical properties of the fuel electrode material play a crucial role in the performance of the whole cell and efficiency of electrocatalytic reduction of steam into hydrogen. In the present work, a novel Co and Pr co-doped SrTiO3-δ material attracted attention as a potential fuel electrode for SOFC/SOEC. Materials with different praseodymium content were prepared by a solid-state reaction process. XRD confirmed cubic perovskite structure in all obtained samples. SEM results showed porosity in doped materials and EDX proved ABO3 stoichiometry. TEC values were about 1.17–1.26•10−5 K−1 very close to the YSZ electrolyte value. XPS studies turn out that a praseodymium can be multivalent and exist on mixed +3 and + 4 oxidation state. Electrical conductivity of samples was measured by DC 4-wire method in range of 100-800 °C. Highest value of total conductivity was achieved for Sr0.7Pr0.3Ti0.93Co0.07O3-δ and reached 23.7 S∙cm−1. The obtained results were discussed and analyzed in term of defect chemistry.