Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons

Exploring the half-metallic nanostructures with large band gap and high carrier mobility is a crucial solution for developing high-performance spintronic devices. The electric and magnetic properties of monolayer zigzag black-phosphorene nanoribbons (ZBPNRs) with various widths are analyzed by means of the first-principles calculations. Our results show that the magnetic ground state is dependent on the width of the nanoribbons. The ground state of narrow nanoribbons smaller than 8ZBPNRs prefers ferromagnetic order in the same edge but antiferromagnetic order between two opposite edges. In addition, we also calculate the electronic band dispersion, density of states and charge density difference of 8ZBPNRs under the action of out-of-plane electric field. More interesting, the addition of out-of-plane field can modulate antiferromagnetic semiconductor to the half metal by splitting the antiferromagnetic degeneracy. Our results propose a new approach to realize half-metal in phosphorene, which overcomes the drawbacks of graphene/silicene with negligible band gap as well as the transitional metal sulfide (TMS) with low carrier mobility.     

高空核爆炸X射线电离的时空分布数值模拟

利用数值模拟程序模拟了高空核爆炸辐射的X射线对不同高度大气的电离及演化过程,给出了电子的时空分布曲线．结果表明：在80km爆高1kt小当量高空核爆炸情况下,电子数密度随高度只出现一个极大值,而在80kin以上爆高情况下,电子数密度出现两个极大值,一个位于爆点附近,另一个位于90km高度附近,在这个高度电离的影响范围最大;高空核爆炸辐射的X射线在70km高度附近截止,对70km以下高度没有电离影响;随着辐射角度的增加,电子数密度出现第二个极大值的高度有所上升,X射线截止高度也有所上升．     

Effects of the structural order of canthaxanthin on the Raman scattering cross section in various solvents: A study by Raman spectroscopy and ab initio calculation

In this work,we measure the Raman scattering cross sections(RSCSs) of the carbon-carbon(CC) stretching vibrational modes of canthaxanthin in benzene,acetone,n-heptane,cyclohexane,and m-xylene.It is found that the absolute RSCS of CC stretching mode of canthaxanthin reaches a value of 10 24 cm 2 ·molecule 1 ·sr 1 at 8×10 5 M,which is 6 orders of magnitude larger than general RSCS(10 30 cm 2 ·molecule 1 ·sr 1),and the RSCSs of canthaxanthin in various solvents are very different due to the hydrogen bond.A theoretical interpretation of the magnetic experimental results is given,which is introduced in a qualitative nonlinear model of coherent weakly damped electron-lattice vibration in the structural order of polyene chains.In addition,the optimal structure and the bond length alternation(BLA) parameter of canthaxanthin are calculated using quantum chemistry calculation(at the b3lyp/6-31g(d,p) level of theory).The theoretical calculations are in good agreement with the experimental results.Furthermore,the combination of Raman spectroscopy and the quantum chemistry calculation study would be a quite suitable method of studying the structures and the properties of the π-conjugated systems.     

Negative differential resistance behaviour in N-doped crossed graphene nanoribbons

By using first-principles calculations and nonequilibrium Green’s function technique, we study elastic transport properties of crossed graphene nanoribbons. The results show that the electronic transport properties of molecular junctions can be modulated by doped atoms. Negative differential resistance (NDR) behaviour can be observed in a certain bias region, when crossed graphene nanoribbons are doped with nitrogen atoms at the shoulder, but it cannot be observed for pristine crossed graphene nanoribbons at low biases. A mechanism for the negative differential resistance behaviour is suggested.     

对氨基苯基-β-羟乙基砜硫酸酯的间接酯化

利用间接酯化方法合成对氨基苯基－β－羟乙基砜硫酸酯,能使酯化收率提高到80％以上,且产品外观比直接酯化合成的颜色浅,光泽好,并通过实验得出了合成的最佳工艺条件。     

一维等离子体光子晶体的带隙研究

采用时域有限差分方法(FDTD),结合等离子体计算中的分段线性电流密度卷积技术(PLJERC)对一维等离子体光子晶体(1D-PPC)进行了数值模拟,给出了微分高斯脉冲在一维等离子体光子晶体中的传播过程。计算得到的带隙结构与K-P模型方法的结果一致。计算并分析了等离子体频率、介质介电常数、等离子体-介质层的厚度比以及周期厚度对一维等离子体光子晶体带隙结构的影响。     

微波加热制备含稀土(La2O3)矿渣微晶玻璃研究

利用矿渣制备微晶玻璃是提高矿产资源利用率的主要形式之一。本文以白云鄂博尾矿为原料,采用微波一步法制备了CaO-MgO-Al₂O₃-SiO₂(CMAS)系辉石相矿渣微晶玻璃。选择835 ℃作为晶化温度,研究了微波加热对微晶玻璃析晶行为和微观组织的影响。以La₂O₃作为研究变量探讨了La₂O₃添加对矿渣微晶玻璃析晶行为的作用。与传统的热处理制度相比,微波加热可以在较短的时间内达到较高的析晶效果。同时La₂O₃的添加促进了晶粒细化。由拉曼光谱分析,La离子添加会导致玻璃网络中桥氧的增多,促进了辉石相析晶。在La的添加量为4%(质量分数)时硬度最高,达到了829.22 MPa。     

Near-field manipulation of terahertz surface waves by metasurfaces [Invited]

Surface waves(SWs) are a special form of electromagnetic waves that travel along the boundary between a metal and a dielectric. The special optical properties of SWs render them very attractive in applications, such as subdiffractional lithography, novel biochemical sensors, and ultrafast integrated circuitries. Herein, we present a review of our recent progress in excitation and manipulation of terahertz SWs due to interference or coupling between a pair of slit resonators in metasurfaces, showing the ability to devise ultrathin and compact plasmonic components.     

几例容易重复计数的排列组合问题的剖析

几例容易重复计数的排列组合问题的剖析欧阳陆军（湖南平江四中４１０４１１）学生在解排列组合题时，往往容易出现重复计数的情况，现对几例容易重复的问题举例剖析如下．例１从５本不同的数学书中任取２本，有多少种不同的取法？错解完成这件事可分为两个步骤，第一步从...     

Equilibrium dialysis of metal-serum albumin (Ⅱ)——Allosteric effect in Ni(Ⅱ)-serum albumin systems

Detailed studies were carried out on equilibrium dialysis of the binding of Ni2++ ion to human scrum albumin (HSA) and bovine serum albumin (BSA).The successive stability constants were obtained by the Icfisi squares fitting.The eight binding sites found for both Ni(Ⅱ)-HSA and Ni(Ⅱ)-BSA systems can be divided into two different sets; and for both systems,there exist two identical prior binding sites where the bound Ni2+ ions can he con sidered as allosteric effectors,which induce the allosteric effect in accordance with the model proposed by Moeod et al As indicated by allosteric parameters,the ability of R-state to bind Ni2+ ions is ca 100 times as much as that of T state,and the conformation of HSA is markedly tenser than that of BSA.