Analysis of first and second order strain derivatives of the dielectric constants of alkali halides

Expressions for evaluating the first and second order strain derivatives of the electronic and static dielectric constants of alkali halides are derived. The strain derivatives of the electronic dielectric constant are calculated by taking account of the effect of the crystalline potential on the variation of electronic polarizabilities with volume. The strain derivatives of the static dielectric constant are evaluated adopting the exponential and the inverse power forms for the short range repulsive potential. Two sets of the Born repulsive parameters derived from ultrasonic data and dielectric data are used to evaluate the lattice contribution to the volume dependence of static dielectric constant of alkali halides.     

Theory of strain derivative of electronic dielectric constant of ionic crysts

A theoretical method for evaluating the strain derivative of the electronic dielectric constant of ionic crystals has been developed. The analysis presented here is based on the shell model and takes account of the exchange charge polarizations. Values of strain derivative of the electronic constant dielectric calculated for 6 alkali halides and MgO show a remarkable agreement with experimental data on photoelastic constants.     

Analysis of the photoelastic effect in ionic crystals

An analysis of the photoelastic effect in ionic crystals has been presented within the framework of Clausius-Mossotti theory of the dielectric constant. The values of the strain derivative of the electronic dielectric constant have been calculated in alkali halides and MgO crystals by taking into account the variation of electronic polarizabilities with compressive stress. The results obtained are found closer to the experimental values. The photoelastic behaviour of MgO crystal is predicted to be of opposite nature to that of alkali halides, in conformity with the experimental observations.     

Dielectric and thermodynamic properties of CHF3 near the critical temperature

We report here some measurements of the complex dielectric constant of CHF₃ near the critical temperature from the low pressure gas densities up to the compressed liquid ones. The behaviour of the complex dielectric constant, measured at about 10 GHz, is compared with the provisions of some recent theories. The dielectric relaxation time is derived and an interpretation of the relaxation mechanisms in the whole explored density range is proposed. The pressure second virial coefficient is also obtained.     

Dielectric behaviour and optic mode Gruneisen parameters of the halides of silver,caesium and thallium

The optic mode Gruneisen parameters in silver, caesium and thallium halides are calculated using the Born model for interionic forces and the Szigeti theory of dielectric constants. The strain derivatives of the electronic and static dielectric constants are also evaluated and compared with experimental data. The strain derivative of static dielectric constant reveals the inadequacy of the Born model for the crystals under study. Possible modifications have been suggested to improve the situation. The theoretical values of the optic mode Gruneisen parameters closely agree with recent experimental data. An appropriate process has been adopted to evaluate the average values for the Gruneisen parameter.     

应变对纤锌矿结构GaN电子结构及光学性质的影响

使用第一性原理密度泛函理论（DFT）框架下的广义梯度近似（GGA+U）方法计算单轴应变对纤锌矿结构GaN的键长、差分电荷密度、电子结构以及光学性质的影响.结果表明：带隙随应变的增加而减小,压应变在（-1%~-3%）范围内变化时带隙变化不明显,压应变超过3%时带隙随应变的增大显著减小.光学性质研究表明,应变对介电函数虚部峰的位置和大小都产生影响,静态介电常数随应变的增大而增大;应变使GaN的吸收系数减小.     

Electronic,dielectric and mechanical properties of MoS2/SiC hybrid bilayer: A first principle study

The electronic, mechanical and dielectric properties of lateral MoS₂/SiC heterobilayer are investigated using first principles calculations. Among various stacking conformations, the energetically favorable stackings namely AA₂ and AB′₁ have been considered in the present study. The band gap of the heterobilayer shows reduction as compared to constituent monolayers which also remains stacking dependent. The electronic band-gap is further tunable by applying mechanical strain and perpendicular electric field that rendered heterostructures from semiconductor to metal at critical value of applied strain/field. The stacking of heterobilayer strongly influence its mechanical properties e.g. ultimate tensile strength of considered two favorable stacking differ by more than 50%; the ultimate tensile strain of 17% and 21% respectively has been calculated for two different stackings. The static dielectric constant also shows tunability on heterostructuring the constituent monolayers as well as applying strain and field. These tunable properties of MoS₂/SiC may be useful for the device applications at nanoscale.     

液体中静态介电常数随温度渡越行为及其关联特征研究

为了通过液体静态介电常数随温度的变化行为,归纳总结液体中分子间取向关联极化的一般规律,在现有的文献中,筛选了分子的电子极化远小于分子间取向关联极化的18种液体材料,并对其静态介电常数随温度的变化行为进行了分析研究.结果表明,液体中静态介电常数随温度变化存在一个普遍的渡越行为,并且对应于该种渡越,至少存在两种分子之间的取向关联序,一种随温度降低而增强,而另一种则减弱.     

Study of strain optical constants of mixed lithium halides

The theory of photo-elasticity of mixed alkali halides has been used to analyse the strain optical constants and volume derivative of the electronic dielectric constant of the mixed crystal, LiF_0.5Cl_0.5.     

Multipolar corrections to the Clausius-Mossotti formula for the effective dielectric constant of a polydisperse suspension of spheres

We study multipolar corrections to the Clausius-Mossotti formula for the effective dielectric constant of a polydisperse suspension of spheres with identical uniform dielectric constant embedded in a uniform background. The first few moments of the spectral density occurring in the Bergman representation are evaluated exactly to second order in the volume fraction. We present numerical results for a log-normal distribution of sphere radii.     

Defect dependence of the dielectric permeability of Qn(TCNQ)2

The conductivity and 9.1 GHz dielectric constant of neutron irradiated Qn(TCNQ)₂ single crystals are strongly affected by defect concentrations less than 1 %. This indicates long range electronic coherence of the order of 100 lattice constants in the non-irradiated material for which the coherence length may still be impurity limited. It is suggested that a collective excitation of electrons is responsible for the temperature dependence of the large dielectric constant.     

Relaxational behavior of the piezoelectric constant and the electrostriction constant in polymers

Piezoelectricity in polymer films is classified by its mechanism into three groups: A-1, intrinsic piezoelectricity due to internal strain in nonpolar crystals; A-2, intrinsic piezoelectricity due to the strain-dependence of the spontaneous polarization in polar crystals; and B, piezoelectricity due to the heterogeneity of macroscopic strain.

The relaxational behavior of piezoelectricity in Type A-1 is discussed for two cases: (a) the piezoelectric phase is relaxing, and (b) the piezoelectric phase is nonrelaxing but the nonpiezoelectric phase is relaxing. For Case a, a thermody-namic theory is developed, yielding relations among relaxation strengths of piezoelectric constant, dielectric constant, and elastic modulus. For Case b, on the other hand, the inequalities e″/e′ < 0 and d″/d′ > 0 are verified for a generalized composite model of two phases, where e′ — ie” and d′ — id″ are complex piezoelectric stress and strain constants, respectively.

Relaxational behavior of the piezoelectric constant for Type A-2 and Type B is expected to reflect that of the electrostriction constant as suggested by theories. The complex electrostriction constant in a range from 30 Hz to 500 kHz is presented for unrolled and rolled poly(vinylidene fluoride) films. The frequency dependence of the complex electrostriction constant can explain the relaxational behavior of the piezoelectric constant of Types A-2 and B, and at the same time gives a new aspect of the relaxational character of polymers, the strain-dependence of the relaxation time, and its anisotropy.     

金红石相纳米块材TiO2的介电特性

研究了不同制备压力下成型的以金红石相为主的纳米二氧化钛介电常数的频率谱和温度谱。在频率谱上发现,当频率ω<0.1kHz时,随着测量频率的下降,介电常数迅速升高,低频下的介电常数比高频区的介电常数高1—2个数量级。并且随着样品加压压力的提高,介电常数升高,在与之相对应的介电损耗谱上,随着样品加压压力的提高,损耗值下降,损耗峰向低频区位移。对1.0GPa压力下成型的样品,其介电常数随测量温度的升高,分别在50℃和300℃出现两个峰值。经分析得出,影响金红石相纳米二氧化钛介电行为的微观机制主要为晶粒内部的电子松弛极化和界面中的电偶极矩的转向极化,50℃峰对应于电于松弛极化,而300℃峰则对应于电偶极矩的转向极化。 关键词：     

Dielectric response in novel polyvinylidene fluoride/nanoquasicrystalline composites

The dielectric behavior of polyvinylidene fluoride/nanoquasicrystalline Al–Cu–Fe composites has been investigated over a broad frequency range. High effective dielectric constant (3800) at 100 Hz is observed near the percolation threshold. The dielectric behavior has been explained on the basis of boundary layer capacitor effect, Maxwell Wagner Sillars interfacial polarization and percolation theory while the dielectric anomalies are attributed to process of fabrication leading to thick insulating layer between the filler particles forming a gap in effective tunneling range of two filler particles, inhibiting the probability of higher order tunneling. The mechanical/electronic properties of these composites will make them suitable for multifunctional applications.     

Solvent Effects on the Electronic Absorption Spectra of Cr(III) Complexes

An influence of the protic solvents on the electronic absorption spectra of chromium (III) complexes was investigated. The high correlation between dielectric constant of solvents and the crystal field parameter Dq as well as between refractive index and oscillator strength of d-d bands were observed. The significance of the ligand - second sphere interactions for studying of solvent effect on complex spectra was stated.     

一层非球形粒子散射的标量辐射传输迭代解的求逆

给出了一层有下垫反射面的非球形粒子散射的标量辐射传输方程一、二阶迭代解,推导了相函数各阶Legendre展开系数与随机小椭球粒子相函数的对应关系,提出了一层随机小椭球粒子介电常数和单位面积粒子数的迭代反演方法.通过两次各方位角上双站散射测量,反演随机小椭球粒子的介电常数和单位面积粒子数.本方法比现有文献的一些反演方法易于实现,可应用于颗粒性复合材料介电与结构特性以及地表背景参数的反演研究 关键词： 辐射传输方程 迭代解 反演 相函数 介电常数     

Effective dielectric constant of dilute polydisperse suspensions of spheres

We study the effective dielectric constant of a dilute, polydisperse suspension of spheres embedded in a uniform background. We consider a frequency region where the dipole polarizability of individual spheres exhibits a resonance. We evaluate the effective dielectric constant to second order in the volume fraction employing the dipole approximation, which in previous work has been shown to be applicable in resonance. We apply our results to suspensions of spheres with identical and uniform dielectric constant, assuming a log-normal distribution of sphere radii.     

On the absence of a density effect for inner shell ionization

It is shown that the observed absence of a density effect in inner shell ionization in solids is due to the fact that the required momentum transfer has a wavelength of the order of, or smaller than, the lattice constant, and thus cannot be transmitted to the lattice. This leads to a cut-off in the dielectric function corresponding to electronic binding energies above 1—1.5 keV, depending on the lattice constant. For more strongly bound electrons there shoul be no density effect.     

Dielectric and anharmonic behaviour of mixed alkali halides

Summary In the present paper an analysis of the dielectric behaviour and anharmonic contribution to the dielectric constants has been made of KCl−KBr mixed ionic crystals. The temperature and volume derivatives of static (ε₀), electronic (ε_∞) dielectric constants and energy gap parameter (E _g) have been calculated using the Szigeti and Havinga and Bosman dielectric theories. The anharmonic contributions have been estimated in terms of temperature derivatives of dielectric constants at constant volumes. The modified form of Clausius-Mossotti theory of dielectric polarization has been used for the mixed crystal under study. The calculated quantities have been compared with the available experimental data. A good agreement has been obtained. To speed up publication, the authors of this paper have agreed to not receive the proofs for correction.     

Cluster Model of the Mechanism of Sensitivity of Gas Sensors Based on MIS Structures

A cluster model of the mechanism of sensitivity to gases is proposed, according to which the change in the electric capacity of a MIS sensor under the action of gas is caused by a change in the dielectric constant of the metal — dielectric transition layer under the action of gas molecules. The dielectric constant of the transition layer changes due to the rearrangement of the electronic structure of the traps.