Fe_3O_4单晶薄膜磁性电场调控的微磁学仿真研究

磁性薄膜磁学特性电场调控的相关研究对开发新型低功耗磁信息器件具有突出意义.本文基于电场调控磁性的基本理论,以OOMMF(Object Oriented Micro-Magnetic Frame)微磁学仿真软件为工具,研究了电场对生长于PZN-PT单晶衬底上Fe_3O_4单晶薄膜磁学特性的调控.研究结果显示:无外加电场时,薄膜表现出典型的软磁特性;沿衬底[001]方向施加的外加电场可以使得薄膜矫顽力、矩形比等磁学特性发生显著改变:当外加磁场沿[100]([010])时,施加正值(负值)电场强度可以显著增大薄膜的矫顽力与矩形比,当电场强度不小于0.6 MV/m时薄膜矩形比达到1.这是因为外加电场导致薄膜产生单轴应力各向异性,使得薄膜的等效磁各向异性发生了从无外电场下的面内四重磁晶各向异性向高电场下的近似单轴磁各向异性的过渡.外加1 MV/m与-1 MV/m的电场时等效易磁化轴分别沿[100]与[010]方向.另外,外加1 MV/m(-1 MV/m)的电场强度可以使得铁磁共振的频率增大(减小)接近1 GHz.     

Fe valence state at the surface of the Fe0.5Cu0.5Cr2S4 spinel

Here we present X‐ray absorption measurements of a vacuum cleaved Fe_0.5Cu_0.5Cr₂S₄ single crystal. Measurements at different positions on the cleaved sample surface clearly reveal a difference between the valence state of the Fe ions in the sur‐ face layers and the valency of the Fe ions present in the bulk. These results confirm the findings of recent measurements outlined previously. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Wavelet Cross-Spectrum Analysis of Multi-Scale Disturbance Instability and Transition on Sharp Cone Hypersonic Boundary Layer

Experimental measurement of hypersonic boundary layer stability and transition on a sharp cone with a half angle of 5° is carried out at free-coming stream Mach number 6 in a hypersonic wind tunnel. Mean andfluctuation surface-thermal-flux characteristics of the hypersonic boundary layer flow are measured by Pt-thin-film thermocouple temperature sensors installed at 28 stations on the cone surface along longitudinal direction. At hypersonic speeds, the dominant flow instabilities demonstrate that the growth rate of the second mode tends to exceed that of the low-frequency mode. Wavelet-based cross-spectrum technique is introduced to obtain the multi-scale cross-spectral characteristics of the fluctuating signals in thefrequency range of the second mode. Nonlinear interactions both of the second mode disturbance and the first mode disturbance are demonstrated to be dominant instabilities in the initial stage of laminar-turbulence transition for hypersonic shear flow.     

Comparison of Properties of the Simplest Neutron Stars in Three RMF Models

We study some properties of the simplest neutron stars （NSs） in the Glendenning Moszkowski （GM） model, the hybrid derivative coupling （HD） model and the Zimanyi Moszkowski （ZM） model in the framework of relativistic mean field （RMF） theory with and without the interaction by exchanging the ~-meson. We show that the maximal mass of the NSs becomes smaller, but the redshift becomes larger from the GM model to the HD model, then to the ZM model. The interaction with the 6-meson exchange enlarges the maximal mass of neutron stars, increases the relative population of charged particles （proton, electron and muon） and descends the relative population of neutron.     

双金属团簇Cu12Fe吸附CO和H2的理论研究

基于第一性原理密度泛函理论(DFT)方法研究了Cu₁₂Fe团簇的结构稳定性、热力学稳定性和反应活性.计算得出正二十面体Fe原子核心团簇Ih-core比正二十面体Fe原子壳层团簇Ih-shell的热力学稳定性更强.通过分析吸附能讨论了CO和H₂在Ih-core团簇上的吸附构型.计算结果表明,Ih-core团簇以顶角Corner位吸附CO时吸附能最大,吸附模型最稳定,H₂吸附过程中发生了解离,两个氢原子均形成表面Facet位吸附构型.最后,通过分析前线轨道得到吸附过程的轨道信息.     

Highly Strong Interaction between Fe/Fe3C Nanoparticles and N-Doped Carbon toward Enhanced Oxygen Reduction Reaction Performance

Transition metal compounds anchored on N-doped carbon (NC) show intrinsic activity and stability for oxygen reduction reaction (ORR). However, the interaction between the transition metal compounds and NC still needs to be strengthened for electron transfer at the compounds/carbon interface. Herein, Fe/Fe₃C hybrid nanoparticles encapsulated into N-doped carbon (Fe@NC) are used as high-performance ORR catalysts. Benefiting from the strong interaction at Fe/Fe₃C nanoparticles/NC interface, the electrons can transfer from Fe/Fe₃C hybrid nanoparticles to NC, redistributing the electron density of active sites and promoting the ORR process. The as-synthesized Fe@NC exhibits outstanding ORR catalytic activity with an onset potential of 1.01 V and a half-wave potential of 0.92 V in alkaline media. It also shows prominent cycling stability and tolerance to methanol crossover, superior to Pt/C catalyst. The theoretical analysis reveals that the Fe nanoparticles have regulated the electron distributions at the heterojunction interface. The Gibbs free energy diagrams for ORR illustrate that the rate-determining step is the conversion of OH* to OH⁻. In situ Raman spectra give evidence of O-containing intermediates to prove the ORR process.     

废水中偏二甲肼在Ni/Fe催化剂上的催化分解研究

研究了Ni/Fe催化剂对废水中偏二甲肼臭氧化分解的催化作用,考察了组分含量、体系的pH值和偏二甲肼初始浓度对催化反应的影响.结果表明,Ni/Fe催化剂对水中偏二甲肼的臭氧化具有良好的催化活性.催化剂组分含量、体系的pH值和初始浓度对反应的影响程度不大.对催化剂的XRD表征结果表明,催化剂主要由尖晶石结构的铁酸盐和FeNi3合金相组成,催化剂的良好催化性能与催化剂中尖晶石结构的铁酸盐和FeNi3合金相的形成有关.     

Mg0.3Fe2.7GeTe2 单晶的磁性及霍尔效应研究

Fe3GeTe2 是一种具有稳定长程磁有序的准二维范德瓦尔斯磁性材料, 范德瓦尔斯材料的稳定性和可调性使其在自旋电子器件的应用方面具有巨大潜力. 本文用助熔剂法生长了 Mg 原子掺杂Fe2 位的 Mg0.3Fe2.7GeTe2单晶样品, 并对 Mg 掺杂Fe3GeTe2 的结构、磁性和输运性质的影响进行了研究. 磁性数据表明 Mg 掺杂后铁磁转变温度不变, 但样品的饱和磁矩减小. 输运性质的测量中观察到各向异性的反常霍尔效应, 与Fe3GeTe2 相比, Mg掺杂后的反常霍尔电阻率减小, 同时各向异性发生了变化.     

Electrochemical and Structural Characterisation of Dip-Coated Fe/Ti Oxide Films Prepared by the Sol-Gel Route

Thin solid films of mixed Fe/Ti oxide composition (Fe/Ti molar ratios: 0.5∶1, 1∶1, 1.5∶1) have been made from Fe(NO₃)₃ alcoholic solution to which Ti(OiPr)₄ was added. Films have been deposited by the dip-coating technique and heat-treated at 300°C and 500°C. Powders of Fe/Ti oxide heat-treated at 300°C are amorphous, while powders annealed at 500°C for 40 hours transformed to mixed rutile, pseudobrookite and hematite phases. The structure of the XRD amorphous films was identified with the help of near-normal reflection absorption (6°) (IRRA) and near-grazing incidence angle (NGIA) spectroscopy. NGIA FT-IR spectra of films are characterised with a single phonon mode appearing in the spectral range 600–950 cm⁻¹ which shifts with increasing Ti concentration from 675 cm⁻¹ (Fe₂O₃) to 904 cm⁻¹ (TiO₂) thus exhibiting one-mode behavior. Electrochemical investigations made with the help of cyclic voltammetry (CV) and chronocoulometry (CPC) performed in 0.01M LiOH and in 1M LiClO₄/propylene carbonate electrolytes revealed that films are able to uptake reversibly Li⁺ ions with a charge capacity (Q) per film thickness (d) in the range 0.1–0.26 mC/cm²nm and 0.06 mC/cm²nm, respectively. The temperature at which the films were prepared alters the rate of Li⁺ insertion which is faster for less compact films obtained at 300°C. In situ UV-VIS spectroelectrochemical measurements revealed that Fe/Ti oxide films bleached in the UV spectral region (300 nm<λ<450 nm) and colored in the VIS spectral region (450 nm<λ<800 nm), thus exhibiting mixed anodic and cathodic electrochromism.     

ChemInform Abstract: Broken Symmetry Analysis of Spin Coupling in Iron-Sulfur Clusters.

On the basis of broken symmetry molecular orbital calculations, a method is developed to estimate antiferromagnetic coupling constants for polynuclear transition metal complexes containing three or more metal sites.