Lithium ion-poly (ethylene oxide) complexes. I. Effect of anion on conductivity

The ionic conductivities of a series of lithium salt-poly (ethylene oxide) complexes have been studied from ambient temperature to approximately 400 K. Plots of the variation of conductivity with temperature indicate a transition in behaviorr between 330–360 K. The activation energies in the high temperature regime vary from 0.16 eV (LiH₂PO₄) to 1.45 eV (LiNO₃) and in the low temperature regime from 0.86 eV (LiBF₄) to 2.47 eV (LiH₂PO₄). Conductivity values for the salts tested also exhibits wide variation. The lowest measured conductivity was 10^?9 S/cm and the highest was 10^?4 S/cm. The anion plays an important role in the total measured conductivity. Salts with oxygen-containing anions form complexes with an apparent higher conductivity when the sample is vacuum dried. This suggets hydrogen bonding with residual water in the polymer impeding anionic mobility. In one of the salt-complexes (LiBF₄) residual water and thermal history, were shown not to significantly affect conductivity.     

Microwave conductivity of K-TCNQ

Measurements of microwave conductivity of K-TCNQ in the temperature range 300–450 K are reported. K-TCNQ behaves as an extrinsic semiconductor with an activation energy of 0.26 eV below the spin-Peierls transition temperature of 396 K and 0.13 eV above the transition. A hystersis of about 1.5 K was observed. Carrier mobility appears to be reduced by a factor of 30 in the high temperature phase. A second type of crystal has been identified with room temperature conductivity two orders of magnitude higher than previously reported.     

Growth and characterization of single crystals of the quaternary TlGaSeS compound

The electrical conductivity and Hall effect for TlGaSeS crystals have been investigated over a wide temperature range. The crystals we used are grown by a modified Bridgman technique and possess p-type conductivity. The energy gap has been found to be 1.63 eV, whereas the ionization energy is 0.25 eV. The variations of the Hall mobility as well as the carrier concentration with temperature have been investigated. The scattering mechanisms of the carrier are checked over the whole investigated temperature range. Furthermore, the diffusion coefficient, relaxation time, and diffusion length of holes are estimated.     

Ab initio calculations of thermal conductivity of metals with hot electrons

Warm dense matter (WDM) is a state of a substance with a solid-state density and temperature from 1 to 100 eV. Researchers believe that such a state exists in the cores of giant planets. Investigation of WDM is important for some applications, such as surface treatment on the nanometer scale, laser ablation, and the formation of the plasma sources of the X-ray radiation into the inertial synthesis. In this study, the conductivity and the thermal conductivity are calculated based on density functional theory and the Kubo-Greenwood theory. This approach was already used to simulate the transport properties in a broad range of densities and temperatures, and its efficiency has been demonstrated. The conductivity and the thermal conductivity of aluminum and gold are investigated. Both the isothermal state, when the electron temperature equals the ion temperature, and the two-temperature state, when the electron temperature exceeds the ion temperature, are considered. The calculations were performed for a solid body and liquid in the range of electron temperatures from 0 to 6 eV.     

Electrical conductivity and thermoelectric power of AgInSe2 in the solid and liquid states

The electrical conductivity and thermoelectric power of AgInSe₂ have been investigated as a function of temperature from 420°C to 950°C. Experimental data are analyzed in terms of a model developed for the density of states and electrical transport in solid amorphous semiconductors [1]. The activation energy calculated from electrical conductivity data is found to be 0.06 eV for the solid and 0.37 eV for the liquid phase. Moreover, the coefficient of the linear decrease of the energy gap with temperature was found to be 1.96×10^–4 eV/K.     

Photoelectronic and electrical properties of Tl2InGaS4 layered crystals

Tl₂InGaS₄ layered crystals are studied through the dark electrical conductivity, space charge limited current and illumination- and temperature-dependent photoconductivity measurements in the temperature regions of 220-350 K, 300-400 K and 200-350 K, respectively. The space charge limited current measurements revealed the existence of a single discrete trapping level located at 0.44 eV. The dark electrical conductivity showed the existence of two energy levels of 0.32 eV and 0.60 eV being dominant above and below 300 K, respectively. The photoconductivity measurements reflected the existence of two other energy levels located at 0.28 eV and 0.19 eV at high and low temperatures, respectively. The photocurrent is observed to increase with increasing temperature up to a maximum temperature of 330 K. The illumination dependence of photoconductivity is found to exhibit supralinear recombination in all the studied temperature ranges. The change in recombination mechanism is attributed to exchange in the behavior of sensitizing and recombination centers.     

Impedance spectroscopy analysis of LiZnVO4 and LiMgVO4

A comparative LiZnVO₄ and LiMgVO₄ conductivity study was done from room temperature to 500 °C and at frequencies from 42 to 1 MHz. The impact of moisture absorption to the materials’ conductivity was investigated. It was shown for LiZnVO₄ that moisture absorption is responsible for the decrease of the compound’s conductivity as the material is heated up to 150 °C. The LiZnVO₄ bulk activation energy value was calculated to be 1.20 eV. Two grain boundary activation energy values were calculated for the LiZnVO₄, 0.59 eV at the lower temperature range and 1.37 eV at the higher temperature range. An explanation for the existence of these two values was given. Both materials’ plots of the loss factor (tanδ) versus frequency at different temperatures were found to display a peak, and the modulus master curves present a scaling behavior that suggests non Debye type conductivity relaxation and ion migration via hopping.     

The contribution of anion disorder to ionic conductivity on single crystals of β-PbF2

The effect of the different cooling processes on the disorder of flourine ions and ionic conductivity in β-PbF₂ has been studied by X-ray method and ionic conductivity measurements on single crystals below the transition temperature T_c. The spike-like diffuse scattering was observed along the <111>¹ directions around the Bragg reflections. The activation energies for the conduction process are 0.40 eV for the sample quenched from 970 K and 0.54 eV for the one from 720 K. The higher the quenching temperature is, the higher the conductivity and the lower the activation energy become. The dependence of conductivity on the different cooling processes is more evident in single crystals than in polycrystalline samples. The contribution of the different cooling processes to ionic conductivity can be quantitatively explained by the extent of ordering of mobile fluorine ions. Time dependence of ionic conductivity has not been observed.     

Ionic conductivity and anion diffusion in single crystals of lead chloride

The ionic conductivity and self-diffusion of chlorine ions in undoped single crystals of zone-refined lead chloride have been measured over the temperature range 625–370K. These measurements suggest that the conductivity and self-diffusion are due to simple vacancy migration as confirmed by the observed correlation factor. The activation energy of formation of vacancies is found to be 1.55 eV and that for migration of an anion is 0.38 eV. In the extrinsic region, the two measurements show marked discrepancies which are explained by assuming the presence of oxygen impurity ions in the lattice, and the mechanisms for their contribution to the observed excess conductivity are discussed.     

Study of trapping and recombination centres in Tl2InGaTe4 chain crystals by dark electrical conductivity and photoconductivity measurements

Dark electrical conductivity and photoconductivity of Tl₂InGaTe₄ single crystals have been measured and analyzed in the temperature region 100–300 K. The dark electrical conductivity measurements revealed an intrinsic- or extrinsic-type of conductivity above or below 210 K, respectively. From intrinsic conductivity data analysis, the energy band gap of Tl₂InGaTe₄ crystals was determined as 0.85 eV. In the extrinsic region, the dark conductivity arises from a donor energy level located at 0.30 eV below the conduction band. The photocurrent increases with increasing illumination intensity. The recombination mechanism in the crystal changes as temperature decreases due to the effect of exponential trapping centres. Two trapping and/or recombination centres located at 89 and 27 meV were determined from the temperature dependence of the photocurrent, which decreased or increased with increasing temperature in the regions above or below 180 K, respectively.     

Enhanced electrical surface conductivity of LiNbO3 induced by argon-ion bombardment

The surface conductivity of pure and proton exchanged LiNbO₃ was studied. After bombarding the surface with Ar⁺ ions having an energy of about 2000 eV the samples showed an enhanced specific conductivity near the surface (5 nm) of 6 orders of magnitude. This corresponds to a specific conductivity of 10^–5 S/cm at room temperature. The enhanced conductivity is thermally activated with an energy of 0.41±0.04 eV, and it seems to be a non-ionic conductivity, because no polarization behaviour was observed. This enhanced conductivity was observed at the surface of both pure and proton exchanged LiNbO₃.     

Space-charge-limited currents and photoconductive properties of Tl2InGaSe4 layered crystals

The extrinsic electronic parameters of Tl₂InGaSe₄ layered crystals were investigated through measurement of the temperature-dependent dark conductivity, space-charge-limited currents and photoconductivity. Analysis of the dark conductivity reveals the existence of two extrinsic energy levels at 0.40 and 0.51 eV below the conduction band edge, which are dominant above and below 260 K, respectively. Current–voltage characteristics show that the one at 0.51 eV is a trapping energy level with a concentration of (4.8–7.7) × 10¹⁰ cm^?3. Photoconductivity measurements reveal the existence of another energy level located at 0.16 eV. In the studied temperature range, the photocurrent increases with increasing temperature. The dependence of the photoconductivity on the incident light intensity exhibits a linear recombination character near room temperature and a supralinear character as the temperature decreases. The change in recombination mechanism is attributed to an exchange in the behavior of sensitizing and recombination centres.     

Conductivity in Nd+K doped ferroelectric lead germanate single crystals

Nd⁺³+K⁺ doped ferroelectric lead germanate (LG) single crystals were grown to study the influence of the double dopants on ferroelectric behavior of LG. The crystals were grown by controlled cooling of the melt. Temperature variation of d.c. conductivity of the grown samples was studied in temperature range of 40-400 °C. Room temperature conductivity was enhanced as a result of doping. The existence of two activation energies, one in the ferroelectric phase (0.61 eV) and another in the paraelectric phase (0.77 eV) in the results, were revealed. The increase in conductivity due to doping is attributed to the generation of charge carriers due to double doping and the existence of two activation energies is attributed to the structural changes taking place at the ferroelectric transition temperature.     

退火温度对旋涂法制备SnO_2薄膜性能的影响

采用旋涂法在玻璃基底上制备SnO_2薄膜,通过原子力显微镜(AFM)、X射线反射(XRR)、傅氏转换红外线光谱仪(FT-IR)、X射线衍射(XRD)、紫外-可见分光光度计、四探针、开尔文探针系统对薄膜的表面形貌、结构及光学特性、电学特性进行分析,探讨了退火温度对薄膜质量的影响及作用机制。研究发现:随着退火温度升高,薄膜厚度和有机成分杂质减小,薄膜密度递增,但薄膜表面粗糙度有所上升;当退火温度升高至500℃时,薄膜结构由非晶转变为结晶,其主要晶面为氧化锡的(110)、(101)和(211)晶面。旋涂法制备的氧化锡薄膜在可见光区域的平均透光率在90%以上,随着退火温度上升,薄膜在400～800 nm波段的透光率先减小后增大,薄膜的带隙宽度分别为3. 840 eV(沉积态薄膜)、3. 792 eV(100℃)、3. 690 eV(300℃)和3. 768eV(500℃);薄膜的电导率也随着退火温度升高而增加,在500℃时电导率高达916 S/m;薄膜的功函数先增大后减小,分别为(4. 61±0. 005) eV(沉积态薄膜)、(4. 64±0. 005) eV(100℃)、(4. 82±0. 025) eV(300℃)、(4. 78±0. 065) eV(500℃)。     

Electrical conductivity of Na2SO4(I)

The electrical conductivity of the solid phase Na₂SO₄(I) has been measured between the melting point at 884°C and the first order phase transition at about 240°C. The measurements have been performed using complex impedance measurements on pellet samples as well as on U-cells. The electrical conductivity is strongly dependent on sample at low temperatures and the activation energy ranges from 0.5 eV to 1.7 eV over the measured temperature range.     

Defect parameters for strontium fluoride

The ionic conductivity of dilute Sr₁?xYb_xF₂+x solid solutions has been studied as a function of temperature. For the migration enthalpy of fluoride interstitials the value 0.946 eV is obtained, and the value 0.56 eV for the dissociation enthalpy of neutral associates (Yb_SrF_i)^x. The latter value is concordant with the theoretical binding energy for this type of associate. A re-analysis of the conductivity data for SrF₂ leads to the value 2.70 eV for intrinsic defect formation, contrary to reported values which range from 2.2 to 2.3 eV.     

LaFeAsO单晶各向异性光学性质的第一性原理研究

使用密度泛函第一性原理研究了高温超导体LaFeAsO各向异性的光学性质。在描述光学性质的计算原理和计算方法的基础上, 计算了LaFeAsO的态密度、光电导谱、反射谱以及电子能量损失谱。光电导谱中, x方向与z方向有着很大差别, 在沿x方向的第一个带间吸收峰出现在1.3 eV处, 沿z方向出现在1.5 eV处; 在反射谱与电子能量损失谱中, x方向与z方向的特征峰位置在能量较高处都是相互吻合的。分析认为, 主要是电子在Fe原子之间的各个态间的跃迁所引起。考虑到温度效应对其光学性质的影响, 在计算光学矩阵元时, 加入Lorentz展宽δ=0.10 eV。本文的研究结果, 可为实验制备以及材料性质的研究提供有价值的参考。     

Impedance spectroscopy study on the ionic conductivity processes of the novel LiFeVO<Subscript>4</Subscript> phase

The recently discovered compound LiFeVO₄ was prepared by solid-state reaction at 570 °C during a 7-h period. The X-ray diffraction pattern revealed an orthorhombic crystal structure. Thermogravimetric measurements revealed a reversible mechanism which was attributed to absorption–desorption of humidity. Impedance spectroscopy measurements were carried out at 25 °C steps in the temperature range from 25 to 500 °C and equivalent circuits were drawn to fit the impedance measurement results at each temperature level. The elements of the equivalent circuits were assigned to bulk, grain boundary, and along grain boundary conductivity. All three conduction mechanisms were found to be humidity sensitive. Arrhenius plots were plotted for the bulk and grain boundary conductivity processes. The activation energy for the bulk conductivity process was calculated to be 0.25 eV over the temperature range from 175 to 500 °C and the activation energy for the grain boundary conductivity process was calculated to be 0.41 eV from 300 to 500 °C and 0.20 eV from 175 to 275 °C. An explanation for the existence of these two grain boundary activation energies is attempted. The dependence of the material conductivity mechanisms on humidity suggests that LiFeVO4 could be used as a humidity sensor.     

DC conductivity and dielectric constant of cellulose nitrate detector

The temperature dependence of DC conductivity as well as the temperature and frequency dependence of dielectric constant of cellulose nitrate (CN) track detector was undertaken for better understanding of the track response of the detector. In the temperature range −100° to + 100°C, CN is found to be an insulating semiconductor with activation energies 0.04 eV, 0.78 eV and 1.24 eV. The transition of the activation processes takes place at (−10±1)°C and (60±1)°C. The high activation energy transition temperature coincides with the glass transition temperature of CN. The dielectric constant is found to increase with temperature and decrease with frequency. These results reveal the physical basis of the Ion Explosion Spike model of Fleischer et al. (1975). A possible explanation of the registration temperature effect is also given on the basis of these results.     

Semiconducting behavior of polyphenylene sulfide doped with ferric chloride

The electrical conductivity of polyphenylene sulfide doped with ferric chloride using various solvents has been studied as a function of dopant concentration, temperature, etc. The conductivity (a) was found to increase by almost 10 orders of magnitude by using certain doping media and the the concentration (σ) dependence followed a power law of the type σ α cⁿ where n has a value between 5.5 and 6.0. The temperature dependence of conductivity revealed two distinct regions with the activation energy having low (0.3-0.5 eV) and high (1.5-2.5 eV) values, respectively. The x-ray diffraction studies show no major changes in the crystalline structure/crystallinity even at high doping levels. These various findings have been explained on the basis of preferential diffusion of the dopant in the amorphous regions and the formation of a two-phase system.