Atomistic simulation of site preference, Curie temperature, and lattice vibration of Nd2Co7 - xFex

The effects of Fe substitution for Co on the structural stability and the site preference of intermetallics Nd 2 Co 7-x Fe x with a hexagonal Ce 2 Ni 7-type structure are studied by using a series of interatomic pair potentials.In Nd 2 Co 7-x Fe x,Fe atoms are substituted for Co atoms with a strong preference for the 6h sites and the order of site preference is 6h,4e,4f,2a,and 12k.Calculated lattice parameters are found to be consistent with the reported results in the literature.The variation behaviour of the Curie temperature of Nd 2 Co 7-x Fe x is explained qualitatively by the exchange interaction model.The properties related to lattice vibration,such as phonon density of states and Debye temperature,are first evaluated for the Nd 2 Co 7-x Fe x compounds.     

Identification and elimination of inductively coupled plasma-induced defects in AlxGa1 - xN/GaN heterostructures

By using temperature-dependent Hall,variable-frequency capacitance-voltage and cathodoluminescence (CL) measurements,the identification of inductively coupled plasma (ICP)-induced defect states around the Al x Ga 1-x N/GaN heterointerface and their elimination by subsequent annealing in Al x Ga 1-x N/GaN heterostructures are systematically investigated.The energy levels of interface states with activation energies in a range from 0.211 to 0.253 eV below the conduction band of GaN are observed.The interface state density after the ICP-etching process is as high as 2.75×10 12 cm 2 ·eV 1.The ICP-induced interface states could be reduced by two orders of magnitude by subsequent annealing in N 2 ambient.The CL studies indicate that the ICP-induced defects should be Ga-vacancy related.     

Hydrogenation, structure and magnetic properties of La(Fe0.91Si0.09)13 hydrides and deuterides

Hydrogenation, crystal structure and magnetic properties of La(Fe0.91Si0.09)13H(D)y have been studied by pressure-composition isotherms (PCI), X-ray diffraction (XRD), differential scanning calorimetry (DSC) and magnetization measurements. The maximum absorption capacity is found to be 1.9 H(D) atoms per formula unit as a solid solution. All hydrides and deuterides crystallize in the NaZn13-type cubic structure with the lattice parameter increasing linearly with H(D) concentration. The H(D) absorption enhances the Curie temperature significantly. The magnetic entropy change of the highly H-absorbed compound La(Fe0.91Si0.09)13H1.81 reaches ～26 J/kg·K under a magnetic field change of 5 T near the Curie temperature TC = 350 K. No observable isotope effect seems to imply that only the magnetovolume effect is responsible for the strong interplay between magnetism and lattice.     

Experimental study on the reducibility of graphene oxide by hydrazine hydrate

In this paper, we focus on the reducibility of graphene oxide by hydrazine hydrate. The main emphasis is placed on the problem of the dosage of hydrazine hydrate and the reaction time on the reduction of chemical groups. This paper describes a system for the analysis of FT-IR. A model is developed for the FT-IR analysis using exponential decay function (Y=Y₀e^−RX). The height of the peaks in FT-IR spectra of the chemical groups was fitted with exponential decay function. Decay constant R is given the name of Reducibility Factor R. Emphasis is placed on the decay constant R in the fitting functions by which the reducibility of the chemical groups on graphene oxide is evaluated. It is found that R is different for different chemical groups. The sequence is R_OH>R_C=O>R_C−O−C. This means that C−O−C is the most difficult one to be reduced, OH is the most easy, and C=O is between C−O−C and OH. The experimental results reveal a basis for the research of the application of graphene oxide.     

First-principles study of elastic and thermo-physical properties of kesterite-type Cu2ZnSnS4

The lattice constants and elastic constants of the kesterite-type Cu₂ZnSnS₄ have been calculated using density-functional theory (DFT). The calculated lattice constants are in good agreement with the experimental data. The calculated elastic constants indicate that the bonding strength along the [1 0 0] and [0 1 0] directions is as strong as the one along the [0 0 1] direction. The high B/G ratio shows that the kesterite-type Cu₂ZnSnS₄ compound has ductile behavior. Finally, using the Debye model, the volume, bulk modulus and heat capacity as a function of temperature for the kesterite-type CZTS have been estimated at different pressures. The Debye temperature and Gruneisen parameter are 157 K and 2.28 at 300 K temperature, respectively. The present results can give some information for the design of the kesterite-type CZTS compounds, and these can also be used to stimulate future experimental and theoretical work.     

Fabrication of three-dimensional ZnO with hierarchical structure via an electrodeposition process

A novel three-dimensional (3D) hierarchical structured ZnO was prepared on TiO₂ nanoparticles film by electrodeposition process from aqueous ZnCl₂ solution. The hierarchical structured ZnO was observed by scanning electron microscopy. The results showed that the deposition time had an obvious effect on the morphology of the ZnO structures. Accordingly, a possible growth mechanism was proposed. Furthermore, the room-temperature optical properties of hierarchical structured ZnO were investigated by photoluminescence spectrum, indicating that a strong green emission peak centered at 542 nm.     

Nonlocal plate model for nonlinear bending of single-layer graphene sheets subjected to transverse loads in thermal environments

This paper investigates the nonlinear bending behavior of a single-layer rectangular graphene sheet subjected to a transverse uniform load in thermal environments. The single-layer graphene sheet (SLGS) is modeled as a nonlocal orthotropic plate which contains small scale effect. Geometric nonlinearity in the von Kármán sense is adopted. The thermal effects are included and the material properties are assumed to be size dependent and temperature dependent, and are obtained from molecular dynamics (MD) simulations. The small scale parameter e ₀ a is estimated by matching the deflections of graphene sheets observed from the MD simulation results with the numerical results obtained from the nonlocal plate model. The numerical results show that the temperature change as well as the aspect ratio has a significant effect on the nonlinear bending behavior of SLGSs. The results reveal that the small scale parameter reduces the static large deflections of SLGSs, and the small scale effect also plays an important role in the nonlinear bending of SLGSs.     

Cs(6D5/2)+H2→CsH[ X1Σ+(v,J)]+H转动分辨总截面的测量

利用泵浦-检测方法,在样品池条件下,研究了Cs(6D5/2)与H2反应碰撞传能过程。利用激光感应荧光（LIF）光谱技术,确定了CsH[X1Σ+(v,J)]振转能级上的布居分布,转动态分布与热统计分布基本一致.Cs激发态原子密度由激光能量吸收得到.记录A1Σ+(v',J+1)→X1Σ+(v,J)的时间分辨荧光,从荧光强度的对数值给出的直线斜率确定(v',J+1)→(v,J)的自然辐射率,结合(v,J)→(v',J+1)吸收系数的测量,得到反应生成物CsH[X1Σ+(v,J)]态的分子密度.由速率方程分析,给出反应截面(v,J),对J求和,得到(v)[10-16cm2单位]分别为（0.64±0.19）（v=0）和（0.58±0.17）（v=1）.     

Design and fabrication of Gires�CTournois interferometers for?Yb-doped photonic crystal fiber laser system

A Gires?CTournois interferometer (GTI) with large dispersion compensation was designed and fabricated according to the requirement of the Yb-doped photonic crystal fiber laser system. The designed GTI can provide an average group delay dispersion (GDD) of ?1500 fs² and a high reflectance (>99.7%) from 1030 to 1050 nm. The Ion-assisted Deposition (IAD) technique was utilized to manufacture the mirror. Good agreement between the measured and designed results both for reflectance and GDD was achieved. The reflectance during 1030?C1050 nm was above 99.5% and the GDD ripple was less than ±300 fs². The GTI was used both in the intracavity dispersion compensation and extracavity pulse compression for the Yb-doped photonic crystal fiber laser system. A mode-locked soliton pulse with a 506-fs duration was recorded. An extracavity pulse compression test showed that the GTI had identical pulse compression capability as the conventional grating pairs while the energy loss was obviously reduced. Our results demonstrated that the HDM, which was able to provide quite a large amount of negative dispersion (???8×10⁴ fs²), could be an ideal alternative to replace the dispersive compensating grating pairs for the dispersion compensation of the Yb-doped photonic crystal fiber laser system.     

两种基于空间与光谱相结合的TM影像端元提取算法

针对TM影像波段少,光谱信息相对不丰富的情况,提出了两种结合空间与光谱信息的端元提取算法.首先,提出了基于空间分块的端元提取算法,该算法先对影像进行快速浏览,根据地物分布的复杂程度,确定分块的方案,在分块的基础上通过沙漏算法迅速地提取端元;其次,提出了一种基于空间连续性的端元提取算法,此算法也在分块思路指导下,通过光谱...