分子双轴性与向列型液晶在各向同性相的最低过冷温度

在分子场近似下,研究分子双轴性对向列型液晶在各向同性相最低过冷温度T^*的影响.理论结果表明,通过考虑分子双轴性,各向同性相最低过冷温度T^*与向列相—各向同性相相变温度T_c的比值向实验值靠近.当分子双轴性参数δ取到0.3时,T^*/T_c达到0.9817,已很接近0.99的实验值. 关键词：     

双轴性向列相液晶的相变理论

假设一双轴性向列相液晶分子简单相互作用模型，利用平均场理论，得到从各向同性相至单轴向列相、单轴向列相至双轴向列相的相变. 结果表明，在一定温度范围内，分子形状的非轴对称性可导致系统双轴向列相的产生. 在核磁共振实验中，导出双轴向列相序参数与谱线分裂频率间的一般关系，并讨论序参数测量性的可能性. 关键词： 向列相液晶 相变     

双轴向列相液晶的表面能

利用双轴向列相液晶表面能对指向矢和序参量矩阵的旋转不变性,构造了与指向矢^a,^b,^c对易取向轴^a0,^b0,^c0的偏离有关的表面能Fs(a,b,c),以及与序参量矩阵有关的表面能Fs(Q),并得到两种表达式的等价形式.在Fs(a,b,c)和Fs(Q)中分别有四个和两个独立参量.为讨论上述独立参量的物理意义,假设一液晶分子对表面相互作用的简单模型,将液晶分子沿易取向轴^b0,^c0的双轴性取向看成是受到沿^b0,^c0两相互垂直的平均场作用的结果.为测量表面锚泊系数,考虑了三种简单形变位型,即在外磁 关键词： 液晶 弹性能 表面能     

Gruhn-Hess两体势修正模型向列相液晶微滴的Monte Carlo模拟

基于Gruhn-Hess两体势修正模型,用Monte Carlo方法模拟向列相液晶微滴.Gruhn-Hess两体势是空间各向异性的,修正模型的势参数依赖于液晶的弹性常数K₁₁、K₂₂、K₃₃及表面弹性常数K₁₃.假设向列相液晶微滴具有自由表面,在低温下计算分子二阶序参数和切向内禀强度在微滴内不同区域的变化,并与Gruhn-Hess两体势模型一作对比分析.结果表明:附加K₁₃项的修正模型在微滴表面产生内禀锚定,其大小决定了内禀易取向方向及内禀锚定强度的大小,且内禀强度的大小与K₃₃/K₁₁值有关;空间不完整的向列相液晶微滴由内层到外层有序度逐渐降低.     

PLZST反铁电陶瓷电场诱导相变与相稳定性的研究

在三方铁电(FE)-四方反铁(AFE)的准同型相界附近制备了一系列组份为(Pb_0.97La_0.02)(Zr_1-x-ySn_yTi_x)O₃(x=0.09或0.1;0.16≤y≤0.38)的反铁电陶瓷.研究了Sn含量y对电场诱导AFE→FE相变电场E_c、反铁电双电滞回线损耗ΔE、以及温度诱导FE→AFE相变温度T_FE，AFE→顺电(PE)相变温度T_c的影响.沿AFE-FE相界Ti含量一定的条件下，E_c随着Sn含量y的增加而增大，ΔE减小，T_FE与T_c均降低.场诱相变的回线参量E_c，ΔE与相变温度T_FE和T_c相关联.在直流偏压下用原位X-射线衍射表征了相变时晶格结构的变化，结果表明，当电场达到AFE→FE相变临界场时，伴随相变的发生，晶格结构由四方相转变为三方相，晶胞体积增大. 关键词：     

液晶SmC*相的螺距与手征中心分布

选用双轴性并含有多个手征中心的分子作用势，引入手征中心分布结构因子ζ_χ，采用格胞模型，求得液晶SmC^*相的螺距表达式和螺旋性反转条件.计算了TDOBAMBCC,FLC,PACMB和H6/10等4种典型SmC相液晶的螺距随温度的变化及其受ζ_χ的影响.结果与实验相符. 关键词：     

梳型高分子聚合物向列相液晶的相变

本文根据Freiser关于向列相液晶分子相互作用模型,利用平均场理论,建立了梳型高分子聚合物向列相液晶分子的哈密顿量,导出序参数自洽方程,得到各向同性相至单轴向列相以及单轴至双轴向列相的相变,结果表明,当分子主、侧链耦合项中排斥作用及主、侧链中较强向列相场的场强增大时,单轴至双轴向列相相变温度升高,并从一级相变逐渐变为二级相变。 关键词：     

弹性形变对丝状相液晶相变的影响

应用Saupe形式的弹性自由能,研究了简单的扭曲,展曲和弯曲形变对相变的影响.结果表明,弹性形变可以产生从各向同性相至双轴丝状相的一级相变,对螺状相液晶,当系统手征性增加并超过某一临界值时,一级相变可过渡到二级相变. 关键词：     

Monte Carlo模拟空间各向异性势向列相液晶微滴

基于分子两体势,用Monte Carlo方法计算向列相液晶微滴.两体势基于格点模型,是空间各向异性的且依赖于液晶的弹性常数.假定向列相液晶微滴具有自由表面,引入切向内禀强度定量描写表面引发的分子内禀易取向的强弱.通过各向异性势的两种方案,在低温下计算切向内禀强度和二阶序参数在微滴内不同区域的变化,与Lebwohl-Lasher模型作对比分析.结果表明:只有一种方案在微滴表面产生内禀易取向,且内禀强度值的大小与K₃₃/K₁₁值有关;空间不完整的向列相液晶使得微滴由内层到外层有序度越来越低.     

液晶SmC*相自发极化的统计理论

采用格胞模型，定义在格胞中心上的极化序参量．选用双轴性并具有横向电矩的分子作用势，求得系统的自由能，得到自发极化强度的大小和螺旋变化螺距的表达式．计算了DOBAMBC和3M2CPOOB等4种典型SmC^*相液晶的自发极化强度大小和螺距随温度的变化及其受分子横向电矩的影响，结果与实验相符．表明SmC^*相的自发极化强度主要产生于分子的双轴性和横向电矩． 关键词：     

表面与界面的绝缘铁磁理论

采用Green函数技术,我们讨论了温度从T=0直到T=T_c范围内铁磁体表面和界面的磁化强度随温度的变化情况,所得到表面磁化强度的结果与其他作者的结果一致;而在界面计算中,我们发现界面的T_c与体内的不同,并且找到了一个关系式:T_cc^A,T_c^B)。 关键词：     

液晶表面锚定能的温度依赖性研究

通过测量扭曲液晶盒中的液晶分子的实际扭曲角及摩擦方向与液晶分子的界面指向矢之间的方位偏角，用自行建立的液晶方位表面锚定能的测量方法，测定了５ＣＢ液晶与摩擦的聚酰亚胺界面的锚定能及其温度依赖性，并用热力学理论进行了分析．实验结果表明，随着温度的增加液晶的表面锚定能Ｅ_ａ是减小的，从２５.５℃时的５.０×１０^－5Ｊ／ｍ²减小到３５℃时的５.０×１０^－6Ｊ／ｍ²；同时，外推长度ｄ_e随 关键词：     

Features of electrical conductivity in an incommensurate phase of graphite intercalation compound C10HNO3

Electrical conductivity and conduction-electron spin resonance (CESR) have been studied in stage-2 acceptor α-graphite-nitric acid intercalation compound C₁₀HNO₃. It is found that the electrical conductivity σ_c along the c axis in the structurally incommensurate phase of this compound is temperature independent, whereas the electrical conductivity σ_a along carbon layers exhibits “metallic” temperature behavior. Analysis of the temperature dependences of σ_c, σ_a, and the CESR linewidth demonstrates that, in the incommensurate phase of the graphite intercalation compound, the electrical conductivity along the c axis is realized through a nonband mechanism—the transfer of free charge carriers along thin high-conductivity channels shunting the carbon layers adjacent to the intercalate.     

High pressure X-ray diffraction and electrical resistance study of the quasi-one-dimensional sulfide InV6S8

The ambient structural details and the results of room temperature high pressure angle dispersive X-ray diffraction and electrical resistance measurements on the quasi-one-dimensional sulfide, InV₆S₈, to a pressure of 25 GPa are reported. The material does not undergo a phase transition in this pressure range, though an anomaly in the c/a ratio has been observed around 10 Gpa. A fit of the Murnaghan equation of state to the V/V₀ versus pressure data, with the value of the derivative of B₀ with respect to pressure, B′₀, fixed at 4 has yielded a value of the bulk modulus, B₀, of 110 GPa. We also present data of the pressure dependence of the lattice constants, a and c, the ratio c/a, and the resistance at room temperature.     

Magnetic structures and magnetocrystalline anisotropy in bulk and thin film Fe3Pt

Magnetic structures and magnetocrystalline anisotropy (MCA) of tetragonal phase Fe₃Pt with an L1₂ atomic ordering in bulk and thin film are investigated by means of the first-principles full-potential linearized augmented plane-wave method. The results obtained predict that the tetragonal phase, in which the tetragonal distortion with (c/a) = 0.95 makes an asymmetry of magnetic properties along the c-axis (out-of-plane) and a-axis (in-plane), has an out-of-plane MCA. In addition, from the thin film calculations, the presence of surface is found to strongly enhance the out-of-plane MCA.     

The axial compressibility,thermal expansion and elastic anisotropy of Hf<Subscript>2</Subscript>SC under pressure

Using plane-wave pseudopotential density functional theory and Debye model, we have studied the axial compressibility, thermal expansion and elastic anisotropy of Hf₂SC at different temperature and pressure. It is found that the bulk moduli B _a and B _c (along the a and c axes, respectively) almost linearly increase with pressure and the former is always smaller than the latter. The ratio of B _c /B _a has a trend of gradual increase as the pressure increases. We observe that the Grüneisen parameter γ and thermal expansion coefficient α decrease when increasing pressure, on the contrary, the anisotropy, Debye temperature, longitudinal wave velocity and transverse wave velocity increase with pressure.     

Magnetic structure of KFeS2 — A linear chain antiferromagnet and a spin analog of active sites of two iron ferredoxins — By neutron diffraction

Magnetic structure of KFeS₂ — a spin analog of the oxidized two iron ferredoxins — was determined by the neutron diffraction method. Spins are antiferromagnetically coupled along the c-axis chain, and they make ferromagnetic sheets in the planes containing a and b axes below the transition temperature of 250.0 ± 0.5 K. The iron moment of 2.43 ± 0.03 μ_B lies in the a?c plane and is canted by 125.3 ± 0.7 degrees from a-axis at 4.2 K.     

Low-temperature x-ray diffraction studies of the crystallographic parameters and thermal expansion of (CH3)2NH2Al(SO4)2 · 6H2O crystals

The a, b, c, and β crystallographic parameters of the (CH₃)₂NH₂Al(SO₄)₂ · 6H₂O crystal (DMAAS) have been measured by x-ray diffraction in the 90–300-K temperature range. The thermal expansion coefficients along the principal crystallographic axes α_a, α_b, and α_c have been determined. It was shown that, as the temperature is increased, the parameter α decreases and b increases, whereas c decreases for T<T _c (where T _c is the transition temperature) and increases for T>T _c, so that one observes a minimum in the c=f(T) curve in the region of the phase transition (PT) temperature T _c ～ 152 K. The thermal expansion coefficients α_a, α_b, and α_c vary in a complicated manner with increasing temperature, more specifically, α_a and α_c assume negative values at low temperatures, and the α_a=f(T), α_b=f(T), and α_c=f(T) curves exhibit anomalies at the PT point. The crystal has been found to be substantially anisotropic in thermal expansion.     

第一性原理计算MgB2薄膜拉伸对超导电性的影响

应用全势线性响应线性糕模轨道方法计算MgB₂的电子能带结构、声子谱及电声子耦合常数,并讨论MgB₂的超导电性.通过比较MgB₂薄膜双轴拉伸前后超导电性的变化可以看出，随着a轴晶格常数增大和c轴晶格常数减小,声子谱中硼的E_2g声子频率显著下降，使得电声子耦合强度λ和声子对数平均频率ω_ln增强,提高了MgB₂薄 关键词： 超导电性 能带结构 声子频率 电声子耦合     

Stoichiometry of the chevrel phase SnMo6S8

The phase field of the Chevrel phase Sn_xMo_yS₈ was investigated by metallographic methods. A shift of the phase field away from the “ideal” compound SnMo₆S₈ towards the molybdenum-rich side of the phase diagram was observed. The degree of off-stoichiometry could not yet be determined, however, the c/a ratio of the hexagonal lattice parameters can be used to characterize the samples. Measurements of the superconducting transition temperature indicate two superconducting “phases”, which differ in the c/a ratio of the lattice parameters. While phase A showed a linear variation of T^a_c with c/a in the region from 11.0 to 13.0 K phase B was independent of the c/a ratio with a T^b_c = 10.8 ± 0.2 K.