Pressure-induced structural transformations,orbital order and antiferromagnetism in La<Subscript>0.75</Subscript>Ca<Subscript>0.25</Subscript>MnO<Subscript>3</Subscript>

High pressure evolution of structural, vibrational and magnetic properties of La_0.75Ca_0.25MnO₃ was studied by means of X-ray diffraction and Raman spectroscopy up to 39 GPa, and neutron diffraction up to 7.5 GPa. The stability of different magnetic ground states, orbital configurations and structural modifications were investigated by LDA + U electronic structure calculations. A change of octahedral tilts corresponding to the transformation of orthorhombic crystal structure from the Pnma symmetry to the Immaone occurs above P ~ 6 GPa. At the same time, the evolution of the orthorhombic lattice distortion evidences an appearance of the e _g d _{x² ? z²} orbital polarization at high pressures. The magnetic order in La_0.75Ca_0.25MnO₃ undergoes a continuous transition from the ferromagnetic 3D metallic (FM) ground state to the A-type antiferromagnetic (AFM) state of assumedly 2D pseudo-metallic character under pressure, that starts at about 1 GPa and extends possibly to 20–30 GPa.     

缺陷单层和双层石墨烯的拉曼光谱及其激发光能量色散关系

拉曼光谱作为一种无破坏性、快速且敏锐的测试技术已经成 为表征石墨烯样品和研究其缺陷的最重要的实验手段之一. 本论文用离子注入在单层和双层石墨烯中产生缺陷, 并利用拉曼光谱研究了存在缺陷时单层和双层石墨烯的一阶和二阶拉曼模, 单层石墨烯的D模为双峰结构, 而双层石墨烯的D模具有四峰结构. 同时, 利用四条激光线系统地研究了本征和缺陷单层和双层石墨烯的拉曼峰频率的激发光能量依赖关系, 并基于石墨材料的双共振拉曼散射机理指认了离子注入后样品各拉曼峰的物理根源. 关键词： 石墨烯 缺陷 拉曼光谱 能量色散关系     

A justification for the use of approximate transition amplitudes in semiclassical surface hopping

Recent work has shown that a certain surface hopping form of the wave function is capable of obtaining highly accurate transition probabilities for nonadiabatic problems. It has also been found that it is necessary to include hops in classically forbidden regions in order to obtain this level of accuracy at low energies. The amplitude for the hops in this surface hopping expansion of the wave function has the typical p^?1/2 semiclassical divergence at the turning points in the classical motion. While this singularity is an integrable divergence, the divergent behavior complicates the numerical evaluation of the integrals over hopping points that is present in the surface hopping expressions. Numerical evidence has shown that only small errors are incurred at most energies if these singular hopping amplitudes are replaced with a nonsingular approximation. This agreement is surprising, since the exact and approximate amplitudes differ greatly in the turning point region, and this region is expected to make important contributions to the transition probability at low energies. A numerical analysis is presented in this work that provides a justification as to why this numerically useful approximation works as well as it does.     

Identification of functionally key residues in maltose transporter with an elastic network model-based thermodynamic method

Periplasmic binding protein-dependent maltose transport system (MBP-MalFGK₂) of Escherichia coli, an important member of the Adenosine triphosphate-binding cassette transporter superfamily, is in charge of the transportation of maltoses across cellular membrane. Studies have shown that this transport processes are activated by the binding of maltose and are accompanied by large-scale cooperative movements between different domains which are mediated by a network of important residues related to signal transduction and allosteric regulation. In this paper, the functionally crucial residues and long-range allosteric pathway of the regulation of the system by substrate were identified by utilising a coarse-grained thermodynamic method proposed by our group. The residues whose perturbations markedly change the binding free energy between maltoses and MBP-MalFGK₂ were considered to be key residues. In result, the key residues in 62 clusters distributed in different subdomains were identified successfully, and the results from our calculation are highly consistent with experimental and theoretical observations. Furthermore, we explored the long-range cooperation within the transporter. These studies will help us better understand the physical mechanism of the effects of the maltose on MBP-MalFGK₂ by long-range allosteric modulation.     

A sensitive method of determining optic axis azimuth based on laser feedback

A sensitive method to determine the optic axis azimuth of the birefringence element is presented, which is based on laser feedback. The phase difference between the two intensities in birefringence feedback changes with the angle between the optic axis of the birefringence element and laser original polarization. The phase difference is highly sensitive to the relative position of the optic axis and the laser original polarization. This method is used to highly precisely determine the optic axis azimuth, and is able to distinguish between the fast axis and the slow axis of the birefringence element. Theoretical analysis and experimental results are both demonstrated.     

多单元光纤激光阵列的倾斜控制实验研究

本文结合光纤激光阵列技术的发展趋势,介绍一种基于大模场面积光纤的自适应光纤光源准直器的研制进展,搭建七单元光纤激光阵列,进行平行发射体系下阵列间的倾斜控制实验,并初步探索了基于目标在回路的共形发射体系下阵列间的倾斜控制.最后,在三级全光纤放大链路的主振荡-功率放大系统中,完成了两路10W量级光纤激光阵列的倾斜控制及锁相.为在实际大气环境下应用光纤激光阵列技术提供了参考.     

吐昔烯衍生物分子的电荷传输性质

根据爱因斯坦方程和Marcus电荷传输模型, 使用密度泛函理论B3lyp/6-31g^**理论水平计算6 个吐昔烯衍生物分子的结构和电荷传输性质. 结果显示: 6个吐昔烯的衍生物分子的空穴迁移速率为0.018–0.062 cm²·V^-1·s^-1, 电子迁移率为0.055–0.070 cm²·V^-1·s^-1, 其中3, 8, 13-辛烷氧基吐昔烯衍生物分子适合作为双极性传输材料. 三条烷氧基链的吐昔烯衍生物分子上引入三个甲氧基或羟基, 均使空穴和电子传输率降低. 引入给电子基团或共轭性基团可减小吐昔烯衍生物分子的能隙, 达到有机半导体的能隙要求. 关键词： 吐昔烯衍生物 空穴传输 电子传输 有机半导体     

机器视觉在激光干涉测量d31中的应用

提出一种应用机器视觉技术的激光干涉法, 可以研究压电材料的逆压电系数. 在传统干涉测量法中引入机器视觉实现干涉图像灰度最佳估计, 使用数字图像处理技术, 一方面应用降噪算法有效去除激光干涉图样中的噪声, 从而确定激光干涉场的光强分布, 另一方面将干涉图样的明暗变化进一步转化为可量度的灰度变化以提高测量分辨力. 通过合理设计算法, 该方法中对位移的理论测量分辨力可以提高达一个数量级, 为干涉光波长的1/1024, 因此在逆压电系数d₃₁ 的实验测量中可以有效提高分辨力. 关键词： 机器视觉 逆压电系数 双光束干涉 数字图像处理     

Entanglement of the l- and the r-photons in an anisotropic crystal

Light incident onto an anisotropic crystal is divided into the ordinary and the extraordinary waves which vibrate in two perpendicular directions. Because of the tensor property of the dielectric constant, the direction of the electric displacement is not parallel to the vector of the incident electric field. An optical torque is induced by incidence of the linearly polarized light and propagating through the crystal. The optical torque tends to rotate the directions of eigenvibration which results in self-modulation of the ordinary and the extraordinary waves, and causes an energy splitting of the left (l)-, and the right (r)-handed circularly polarized waves in the crystal. The l- and the r-photons are correlated through the optical torque, which are found to be in an entanglement state.     

Properties of the defect mode in one-dimensional ferroelectric Si/C60 photonic crystals

In the present paper, a novel photonic crystal (PC) defect mode is designed by inserting a ferroelectric material layer (LiNbO₃) into Si/C₆₀ one-dimensional PCs. The band structure of the ferroelectric PCs is numerically analyzed by the transfer matrix method (TMM). The width of the photonic band gap increases by 80 nm and a defect mode appears at a central wavelength of 680 nm when a 150 nm LiNbO₃ layer is inserted into the Si/C₆₀ PC structure. The defect mode in the band gap shifts linearly with the change in electric field. The defect mode shifts by 11.2 nm toward shorter wavelengths when the thin film is subjected to a DC voltage of 1 KV.