Interplay of Antiferromagnetic Coupling and Spin Crossover in Dinuclear Iron(II) Complexes

This article reports on the study of the interplay between magnetic coupling and spin transition in 2,2′-bipyrimidine (bpym)-bridged iron(II) dinuclear compounds. Coexistence of both phenomena has been observed in [Fe(bpym)(NCS)₂]₂bpym, [Fe(bpym)(NCSe)₂]₂bpym and [Fe(bt)(NCS)₂]₂bpym (bpym = 2,2′-bipyrimidine, bt = 2,2′-bithiazoline) by the action of external physical factors namely pressure or electromagnetic radiation. Competition between magnetic exchange and spin crossover has been studied in [Fe(bpym)(NCS)₂]₂bpym at 6.3 kbar. LIESST experiments carried out in [Fe(bpym)(NCSe)₂]₂bpym and [Fe(bt)(NCS)₂]₂bpym at 4.2 K have shown that is possible to achieve dinuclear molecules with different spin states in this class of compounds. This revised version was published online in August 2006 with corrections to the Cover Date.     

Reconstruction on Trees and Spin Glass Transition

Consider an information source generating a symbol at the root of a tree network whose links correspond to noisy communication channels, and broadcasting it through the network. We study the problem of reconstructing the transmitted symbol from the information received at the leaves. In the large system limit, reconstruction is possible when the channel noise is smaller than a threshold.We show that this threshold coincides with the dynamical (replica symmetry breaking) glass transition for an associated statistical physics problem. Motivated by this correspondence, we derive a variational principle which implies new rigorous bounds on the reconstruction threshold. Finally, we apply a standard numerical procedure used in statistical physics, to predict the reconstruction thresholds in various channels. In particular, we prove a bound on the reconstruction problem for the antiferromagnetic “Potts” channels, which implies, in the noiseless limit, new results on random proper colorings of infinite regular trees.This relation to the reconstruction problem also offers interesting perspective for putting on a clean mathematical basis the theory of glasses on random graphs. PACS: 02.50.−r (Probability theory, stochastic processes, and statistics), 64.70.Pf (Glass transitions), 89.75.Hc (Networks and genealogical trees)     

Molecular Spin Crossover Materials: Review of the Lattice Dynamical Properties

The lattice dynamical aspects of the spin crossover phenomenon in molecular solids—displaying intricate couplings between the electronic spin state of the molecules and the lattice properties—are reviewed. Emphasis is on experimental and theoretical approaches giving access to the vibrational spectra and to key properties, such as the heat capacity, vibrational entropy and enthalpy, lattice rigidity, elastic constants, and elastic interactions. Recent results in relation to surface and finite size effects as well as with ultrafast out‐of‐equilibrium phenomena are also covered.     

铁的自旋转变对菱镁矿热力学性质的影响

含铁菱镁矿(Mg,Fe)CO3是碳进入地球深部的主要载体之一,铁的进入会引起矿物物理性质的变化。采用第一性原理计算方法,研究了菱镁矿含铁及铁的自旋转变对菱镁矿热力学性质的影响。含铁菱镁矿的低自旋态体积比不含铁菱镁矿小;高自旋态在低温端的体积比不含铁菱镁矿略微增大,在高温端却减小;在所研究的温压范围内,低自旋态的体积始终比高自旋态的体积小。含铁菱镁矿高自旋态的热膨胀系数减小,而自旋转变会导致热膨胀系数增加。考虑高低两种自旋态共存时的热力学性质时,计算结果表明:自旋态共存时的热膨胀系数、速度在自旋共存区间内分别呈现异常增大峰和异常减小峰,并且这些异常变化峰随着温度的升高向高压方向移动。     

A Promising Mechanism for Photonic Spin Hall Effect and Refractive Index Sensing: Surface Exciton Polaritons

Surface polaritons are surface electromagnetic waves propagating along the surface of a medium, which play an important role in enhancing the photonic spin Hall effect (SHE). Among them, the successful excitation of surface exciton polaritons (SEPs) often requires cryogenic temperature, which limits their practical applications. In this contribution, a promising mechanism is presented for enhancing the photonic SHE by taking advantage of room-temperature SEPs in a prism-glass-TDBC-air configuration. By depositing the TDBC layer on plasmon active metal, the hybrid polariton, namely, surface plasmon exciton polariton (SPEP) can be observed, which gives rise to the further enhancement of photonic SHE. Furthermore, a refractive index sensor based on SEP (or SPEP) enhanced photonic SHE is proposed with the superior sensing performance. The results pave the way for the realization of giant photonic SHE in this simple and promising method, and offer the opportunity for developing highly sensitive optical sensors.     

氢化铁的自旋极化效应及势能函数

B3LYP/6-311++g**水平上预测了FeH2及FeH稳定构型讨论了其自旋极化效应,并与实验结果进行了比较.结果表明其基态分别为FeH2(5A1)和FeH(4?),自旋态对构型和物理性质均有显著影响.FeH2具有C2v对称性.势能与核间距的关系用4参数Murrell-Sorbie函数进行拟合得到其分析势能函数.由此推导出力常数和光谱数据,并由多体项展式理论导出了基态FeH2分子的分析势能函数.用这个分析势能函数分析表明:H+FeH生成FeH2(C2v)分子通道存在一个4.68 eV深的势阱,易生成H—Fe—H络合物分子.反应Fe+H2→HFeH,?H=-0.08305 eV,是放热反应.     

铁基高温超导体研究进展

最近,由于在铁基Ln(O,F)FeAs化合物及其相关化合物中发现具有高于40K的超导电性,层状的铁基化合物引起了凝聚态物理学界很大的兴趣和关注.在随后的研究中发现,在该类材料中最高超导临界温度可达到55K.这些重要的发现使得人们又重新对高温超导体的探索产生了极大的兴趣,并且为研究高温超导的机理提供了新的一类材料.文章主要介绍了作者所在组在新型铁基超导体方面的最新研究进展,包括：（1）铁基超导材料探索研究;（2）铁基超导体的单晶制备及物性研究;（3）铁基超导体的电子相图及自旋密度波（SDW）和超导共存研究;(4）同位素交换对超导转变和SDW转变的效应.最后,在已完成的工作基础上提出了一些今后的研究方向和发展前景.     

Transition metal dichalcogenides (TMDCs) heterostructures: Optoelectric properties

Transition metal dichalcogenides (TMDCs) have suitable and adjustable band gaps, high carrier mobility and yield. Layered TMDCs have attracted great attention due to the structure diversity, stable existence in normal temperature environment and the band gap corresponding to wavelength between infrared and visible region. The ultra-thin, flat, almost defect-free surface, excellent mechanical flexibility and chemical stability provide convenient conditions for the construction of different types of TMDCs heterojunctions. The optoelectric properties of heterojunctions based on TMDCs materials are summarized in this review. Special electronic band structures of TMDCs heterojunctions lead to excellent optoelectric properties. The emitter, p-n diodes, photodetectors and photosensitive devices based on TMDCs heterojunction materials show excellent performance. These devices provide a prototype for the design and development of future high-performance optoelectric devices.     

NMR Anomalies in Quasi-2D Organic Superconductors: Effects of Spin Fluctuations in a Fermi Liquid Approach

The -(BEDT-TTF)₂X organic superconductors are described by a two parameter 2D Fermi surface model, in which bandwidth and departure from perfect nesting can be varied. We have studied the spin fluctuations effect on the normal state properties in a Fermi liquid approach using the RPA approximation. The calculated NMR relaxation rate exhibits a peak in 1/(T ₁ T), which strongly decreases when the departure from perfect nesting of the Fermi surface and the bandwidth increase. These results are in good agreement with NMR experiments done in -(ET)₂X at least qualitatively. In conclusion, we have shown that, in the normal state and with a Fermi liquid approach, the spin fluctuations, which are present in the system due to an imperfect nesting property of the Fermi surface, can induce anomalies of the magnetic properties. Besides, we can restore the usual behaviour like the Korringa law by increasing the bandwidth or by considering a more imperfect nesting. Our calculation reproduces qualitatively the applied pressure relaxation rate experiment done in -(ET)₂X salt.     

A Novel Waveguide-to-Microstrip Transition for Millimeter-Wave Applications

In this paper, a novel transition, based on the ridged-waveguide together with the microstrip-probe approach, is proposed. With this structure, it overcomes the difficulties in the mounting reproducibility and DC-block restriction of the ridged-waveguide-to-microstrip transition in applications. Centered at 42.5GHz, such a transition, employing Duriod based substrates, has been designed and verified by the HFSS simulator. Also, the simulation results are presented.     

Sonochemical synthesis and characterization of new one-dimensional manganese(II) coordination polymer nanostructures

A new Mn(II) coordination polymer, [Mn (L₁)₂(NCS)₂]_n (1) [L₁ = 3,4-bis(4-pyridyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by the reaction of ligand L₁ and mixtures of manganese(II) acetate and potassium thiocyanate using the heat gradient method. Compound 1 has been characterized by IR spectroscopy, elemental analyses and X-ray crystallography. The crystal structure of compound 1 was determined by single-crystal X-ray diffraction and shows a new interesting one-dimensional coordination polymer. Nanostructures of compound 1 have been synthesized by sonochemical method. The products were characterized by X-ray powder diffraction, scanning electron microscopy (SEM), and IR spectroscopy. The thermal stability of nano particles of compound 1 was studied by thermal gravimetric and differential thermal analyses.     

双涂层光纤应变传感器的理论与实验研究

对带有聚合物涂敷层和缓冲层的光纤应变传感器的力学特性进行了研究,建立了双涂层光纤与基体材料相互作用的线弹性理论模型.理论研究表明：在小半径近似条件下,双涂层光纤的力学传递特性决定于涂覆层和缓冲层的弹性模量的相对值;当缓冲层的弹性模量远大于涂覆层时,其作用可忽略.实验中,将光纤传感器埋入基体材料内部,利用白光干涉应变测量方法,对平均应变传递系数进行了实验研究.实验结果与理论仿真具有较好的一致性.     

基于波分耦合器的光纤布拉格光栅传感器

为了实现对光纤布拉格光栅传感器的波长解调,使用普通的光纤波分耦合作为波长鉴别器件,将波长的变化转变成光强的变化,并用双路差动放大去除光源强度变化和外界干扰的影响。使用发光二极管(LED)作为光源以降低系统成本,因此使用调制光源和交流放大器对信号进行处理。实验达到约10με的应变测量分辨力和0．2℃的温度测量分辨力。是目前最廉价的光纤布拉格光栅传感器之一。     

Transition region where the large-scale and very large scale motions coexist in atmospheric surface layer: wind tunnel investigation

The turbulent structures in atmospheric surface layer (ASL) are investigated in wind tunnel with hot-wire anemometers in present study. The results show that there exist two typical turbulent structures characterised by their streamwise length scales, i.e. large-scale motions (LSMs) and very large scale motions (VLSMs) as reported recently in pipe flow, channel flow, zero-pressure-gradient turbulent boundary layers and near-neutral ASLs. Moreover, a transition region containing both LSMs and VLSMs is first reported in present investigation, and this region depends on the Reynolds numbers. In the transition region, as the wall-normal distance increases, the turbulent energy ratio of LSMs is gradually weakened but VSLMs strengthened.     

三种脉冲序列制备核自旋单重态效率的比较

核自旋单重态的制备和检测在化合物分子的相关分析中具有重要的应用价值和广阔的应用前景.本文以三肽分子AGG（Ala-Gly-Gly）中两个质子构成的一组孤立的自旋耦合体系为研究对象,利用三组基于不同原理的脉冲序列,分别对该体系制备了核自旋单重态;并分别测定和比较了三种方法制备核自旋单重态的效率及其寿命.研究结果表明,对于同一分子的同一自旋耦合体系中的质子,使用不同的脉冲序列制备得到的核自旋单重态的寿命并不会有明显差异,但基于不同脉冲制备核自旋单重态的效率差异相对较大.     

硅基脊型波导器件过渡区损耗及偏振效应

在绝缘层上的硅材料上制作了四种具有不同输入输出结构的星形耦合器并进行了测试,对脊形波导与平板波导相互过渡时过渡区的损耗问题进行了研究和讨论,计算得到在所使用的材料参量下利用锥形结构可以得到1dB左右的最小损耗,这一损耗是由于脊型波导与平板波导间的模式失配造成的。以文献中的实验数据为出发点,分析了脊形波导的偏振问题,并通过对脊型波导器件层厚度、脊高、脊宽进行优化设计,得到了不同偏振模式的有效折射率差仅为10^-5量级的单模脊型波导结构,这样的偏振效应在器件设计中可以忽略。     

干涉型光纤传感器相位生成载波技术研究与改进

对干涉型光纤传感器的相位生成载波解调技术进行了研究.对PGC算法进行了数学推导和仿真计算,对数字低通滤波器进行了详细分析,给出了其影响PGC解调性能的原因及数字滤波器的设计方法.讨论了传感器干涉光强对PGC算法输出结果的影响,提出了改进的PGC算法,该算法可以有效的实现自动增益控制,消除干涉光强漂移对解调的影响,并大大减小由干涉光强引入的系统噪音;还可以在有限阶数低通滤波器的情况下,极大的增加系统可解调的大信号幅度,提高系统动态范围12 dB以上.     

Spin physics at COMPASS

Results for the spin structure of the nucleon from the COMPASS data taking periods 2002 to 2004 are presented. The quark contribution to the nucleon spin, following from a QCD fit to the new data, turns out to be significantly larger than it was derived from the previous world data. The new data favour, on the other side, a comparatively small gluon polarisation in the range x _g ≈ 0.1. In the data taken with the deuteron target polarised transversely the related asymmetries are found to be small on the level of accuracy reached so far, indicating a cancellation of the proton and neutron contributions. This is in agreement, for both the Collins and the Sivers asymmetry, with recent theoretical calculations. Also, a step towards the understanding of angular-momentum contributions with COMPASS is taken by the evaluation of asymmetries in exclusive vector meson production.