Radial breathing-mode frequency of elastically confined spherical nanoparticles subjected to circumferential magnetic field

Knowledge of the vibrational properties of nanoparticles is of fundamental interest since it is a signature of their morphology, and it can be utilized to characterize their physical properties. In addition, the vibration characteristics of the nanoparticles coupled with surrounding media and subjected to magnetic field are of recent interest. This paper develops an analytical approach to study the radial breathing-mode frequency of elastically confined spherical nanoparticles subjected to magnetic field. Based on Maxwell's equations, the nonlocal differential equation of radial motion is derived in terms of radial displacement and Lorentz's force. Bessel functions are used to obtain a frequency equation. The model is justified by a good agreement between the results given by the present model and available experimental and atomic simulation data. Furthermore, the model is used to elucidate the effect of nanoparticle size, the magnetic field and the stiffness of the elastic medium on the radial breathing-mode frequencies of several nanoparticles. Our results reveal that the effects of the magnetic field and the elastic medium are significant for nanoparticle with small size.     

Evaluation of Charged Defect Energy in Two-Dimensional Semiconductors for Nanoelectronics: The WLZ Extrapolation Method

Defects play a central role in controlling the electronic properties of two-dimensional (2D) materials and realizing the industrialization of 2D electronics. However, the evaluation of charged defects in 2D materials within first-principles calculation is very challenging and has triggered a recent development of the WLZ (Wang, Li, Zhang) extrapolation method. This method lays the foundation of the theoretical evaluation of energies of charged defects in 2D materials within the first-principles framework. Herein, the vital role of defects for advancing 2D electronics is discussed, followed by an introduction of the fundamentals of the WLZ extrapolation method. The ionization energies (IEs) obtained by this method for defects in various 2D semiconductors are then reviewed and summarized. Finally, the unique defect physics in 2D dimensions including the dielectric environment effects, defect ionization process, and carrier transport mechanism captured with the WLZ extrapolation method are presented. As an efficient and reasonable evaluation of charged defects in 2D materials for nanoelectronics and other emerging applications, this work can be of benefit to the community.     

Theoretical study of exchange coupling constants in an Fe19 complex

The application of theoretical methods based on density functional theory using generalized-gradient approximation functionals provides reasonable estimates of the exchange coupling constants for polynuclear transition metal complexes. Calculations for the complete, non-modeled Fe₁₉ complex have been performed and a comparison with the experimental magnetic susceptibility values using Monte Carlo simulations is presented.     

爆磁压缩发生器通过脉冲变压器对脉冲形成线充电的理论分析

 将爆磁压缩等效为电流源的方法，对爆磁压缩发生器通过脉冲变压器对脉冲形成线充电进行了理论分析，得出爆磁压缩发生器在负载上产生电流波形（简称负载电流）为直线情况和任意电流波形情况下充电电流和充电电压的表达式。分析表明变压器耦合互感与负载电流随时间变化增长率是脉冲形成线充电的两个重要参数，脉冲形成线第一个充电电压峰值与变压器的耦合互感和负载电流波形斜率成正比，负载电流波形斜率的变化可以改变充电电压峰值的时间，斜率不断增加可以延长第一个充电电压峰值时间，从而可能增加充电电压的幅值，提高爆磁压缩发生器能量的利用效率。     

Assignment of conformation-sensitive near-infrared bands in high-spin ferrous haemoproteins. Low-temperature magnetic circular dichroism data

An assignment of the near-infrared bands in the 600–800 nm spectral region observed in magnetic circular dichroism (MCD) spectra of high-spin ferrous haemoproteins is presented. The assignment is based on a relative energy level scheme for iron d-electrons, a comparison of predicted and measured temperature dependences of MCD intensity, a sign of MCD bands and a group theoretical analysis of allowed transitions. The proposed assignment is consistent with the ∼15-nm red shift of the ∼760 nm band on breakage of the Fe-His bond in deoxy-myoglobin at low pH, with low-temperature photolysis experiments available for CO complexes of several haemoproteins. In accordance with the observations, the intensity of the MCD bands for proteins with a sulphur anion of cysteine as proximal haemligand (cytochrome P450 and chloroperoxidase) is predicted to be diminished by at least one order of magnitude compared to that for proteins with an imidazole of a histidine as a protein-derived haemligand (i.e. myoglobin, haemoglobin and horseradish peroxidase). Received: 4 February 1997 / Accepted: 1 May 1997     

Investigation of annealing effects on the structural, magnetic and transport properties of Co/GaAs(0 0 1) thin films

Present paper deals with the structural, magnetic and transport studies of as-deposited as well as annealed Co/GaAs(0 0 1) thin film at different temperatures. The X-ray diffraction measurements show oriented growth of as-deposited Co film in the hcp (0 0 2) direction. However, the sample annealed at higher temperatures shows formation of ternary Co₂GaAs phase at the interface. Corresponding magnetic and transport measurements show decrement in magnetization and resistivity with annealing temperatures. The observed reductions in magnetization and resistivity values are mainly attributed to the formation of ternary Co₂GaAs phase at the interface.     

Structural and magnetic properties of RF sputtered FePt/Fe multilayers

Series of [FePt(4min)/Fe(t_Fe)]₁₀ multilayers have been prepared by RF magnetron sputtering and post-annealing in order to optimize their magnetic properties by structural designs. The structure, surface morphology, composition and magnetic properties of the deposited films have been characterized by X-ray diffractometer (XRD), Rutherford backscattering (RBS), scanning electron microscope (SEM), energy dispersive X-ray spectroscope (EDX) and vibrating sample magnetometer (VSM). It is found that after annealing at temperatures above 500 °C, FePt phase undergoes a phase transition from disordered FCC to ordered FCT structure, and becomes a hard magnetic phase. X-ray diffraction studies on the series of [FePt/Fe]_n multilayer with varying Fe layer thickness annealed at 500 and 600 °C show that lattice constants change with Fe layer thickness and annealing temperature. Both lattice constants a and c are smaller than those of standard ones, and lattice constant a decreases as Fe layer deposition time increases. Only a slight increase in grain size was observed as Fe layer decreased in samples annealed at 500 °C. However, the increase in grain size is large in samples annealed at 600 °C. The coercivities of [FePt/Fe]_n multilayers decrease with Fe layer deposition time, and the energy product (BH)_max reaches a maximum in the samples with Fe layer deposition time of 3 min. Comparison of magnetic properties with structure showed an almost linear relationship between the lattice constant a and the coercivities of the FePt phase.     

四（对-羟基苯基）卟啉氧合配合物的室温固相合成，表征及氧合能力

采用固相反应合成了四羟基苯基卟啉与与Fe^2＋,Co^2＋金属离子的配合物,在室温下,将其与分子O2作用,提纯后得到两种固态氧合配合物．通过元素分析、红外光谱（IR）、核磁共振氢谱（^1HNMR）、电导、热分析（TG／DTA）、紫外光谱（UV）等测试手段确定了氧合配合物的组成为[Co·THPP·O2]（NO3）2·2H2O、[Fe·THPP·O2]Cl2·2H2O]，可知1mol配合物吸收了1molO2,采用失重法测定了氧合配合物中的配位氧,确定1mol金属配合物吸收1molO2形成超氧配合物．     

Crystal structure and magnetic properties of two new cobalt selenite halides: Co5(SeO3)4X2 (X=Cl, Br)

Two new isostructural cobalt selenite halides Co₅(SeO₃)₄Cl₂ and Co₅(SeO₃)₄Br₂ have been synthesized. They crystallize in the triclinic system space group P−1 with the following lattice parameters for Co₅(SeO₃)₄Cl₂: a=6.4935(8) Å, b=7.7288(8) Å, c=7.7443(10) Å, α=66.051(11)°, β=73.610(11)°, γ=81.268(9)°, and Z=1. The crystal structures were solved from single-crystal X-ray data, R1=3.73 and 4.03 for Co₅(SeO₃)₄Cl₂ and Co₅(SeO₃)₄Br₂, respectively. The new compounds are isostructural to Ni₅(SeO₃)₄Br₂.Magnetic susceptibility measurements on oriented single-crystalline samples show anisotropic response in a broad temperature range. The anisotropic susceptibility is quantitatively interpreted within the zero-field splitting schemes for Co²⁺ and Ni²⁺ ions. Sharp low-temperature susceptibility features, at T_N=18 and 20 K for Co₅(SeO₃)₄Cl₂ and Co₅(SeO₃)₄Br₂, respectively, are ascribed to antiferromagnetic ordering in a minority magnetic subsystem. In isostructural Ni₅(SeO₃)₄Br₂ magnetically ordered subsystem represents a majority fraction (T_N=46 K). Nevertheless, anisotropic susceptibility of Ni₅(SeO₃)₄Br₂ is dominated at low temperatures by a minority fraction, subject to single-ion anisotropy effects and increasing population of S_z=0 (singlet) ground state of octahedrally coordinated Ni²⁺.