酞菁锌参杂二氧化硅凝胶基质的光谱学特征

利用溶胶-凝胶技术将四磺化酞菁锌（ZnPcS4）成功地引入到了二氧化硅凝胶基质中，制备了均匀掺杂的有机/无机复合干凝胶。研究ZnPcS4分子在溶胶-凝胶过程中紫外-可见吸收光谱的变化规律以探索其在复合体系中的存在状态。实验表明，在溶胶阶段，随着时间的延长，紫外-可见吸收光谱中单体的吸收峰强度增大，说明凝胶中酞菁单体的浓度增大；而形成凝胶后，随着时间的延长，紫外-可见吸收光谱中单体的吸收峰强度减小，二聚体的吸收峰强度增大，说明由于体系结构和微化学环境的变化，酞菁分子趋向于聚合。     

Effect of Metallic Film in Diamond Growth from an Fe—Ni—C System at High Temperature and High Pressure

The metallic film surrounding a diamond single crystal,which plays an important role the diamond growth from and Fe-Ni-C system,has been successfully investigated by using transmission-electron microscopy(TEM),Raman layer(near diamond)of the film by TEM and Raman spectroscopy,but a parallel relationship exists between the(111) plane of γ-(Fe,Ni) and the (100) plane of (Fe2Ni)3C in this region.Compared with that of the film has an increase of 0.9V.According to the microstructures on the film obtained by the TEM.Raman spectra,and XPS,the catalytic mechanism of the film may be assumed as follows.In the surface layer of the film,iron and nickel atoms in the γ-(Fe,Ni) lattice can absorb carbon atoms in the (Fe,Ni)3C lattice and make them transform to an sp^3-like state.Then carbon atoms with the sp^3-like structure are separated from the (Fe,Ni)3C and stack on the growing diamond crystal.This study provides a direct evidence for the diamond growth from a metallic catlayst-graphite system under high temperature and high pressure.     

金属氚化物中^3He的热解析行为初步研究

国内外关于金属中氦行为的热解析研究报道尚不多见，特别是关于高固氦合金材料设计、制备、性能快速评价的研究尤为缺乏。本工作从室温到1273K全程线性升温，采用四极质谱计实时测量的方法，研究金属氚化物中^3He的热解析行为。     

TM掺杂Ⅱ-Ⅳ-Ⅴ2黄铜矿半导体的电磁性质

利用自旋局域密度泛函的第一性原理对3d过渡金属(TM=V，Cr，Mn，Fe，Co和Ni)掺杂的Ⅱ-Ⅳ-Ⅴ2(CdGeP2和ZnGeP2)黄铜矿半导体的电磁性质进行系统计算，结果发现：V和Cr掺杂的CdGeP2和ZnGeP2将出现铁磁状态(FM)，Mn，Fe以及Co掺杂的CdGeB和ZnGeP2将出现反铁磁状态(AFM)，而Ni掺杂时，稀磁半导体(DMS)的磁性比较不稳定，其中Cr掺杂的CdGeP2和ZnGeP2将可能是具有较高居里温度Tc的DMS，当TM-3d电子的t2g态部分被填充时，其掺杂的DMS将出现FM状态；而当TM-3d电子的t2g态全满或者全空时，其掺杂的DMS将出现AFM状态，在(Cd，Mn)GeP，和(Zn，Mn)(GeP2中分别掺入电子和空穴载流子，可以发现载流子是否具有TM-3d电子的巡游特性是。DMS是否出现FM状态的主要原因。     

Emission enhancement in Er^3＋/Pr^3＋-codoped germanate glasses and their use as a 2.7-μm laser material

Emission enhancement at 2.7 μm is observed in Er^3＋/Pr^3＋--codoped germanate glasses when pumped by a 980-nm laser diode. Significant reductions in 1.5-μm emission and upeonversion intensity indicate efficient energy transfer between Er^3＋ and Pr^3＋; the energy transfer efficiency is as high as 77.4%. The mechanisms of energy transfer are discussed in detail. The calculated emission cross-section of Er^3＋/Pr^3＋- codoped germanate glass is 8.44× 10 ^-21 cm^2, which suggests that Er^3＋/Pr^3＋-codoped germanate glass can be used to achieve efficient 2.7-μm emission.     

环式M(SO2)(M=Zn, Cd)分子及其阴离子的基质隔离红外光谱和密度泛函理论计算

激光溅射锌和镉原子与SO₂分子反应的低温基质隔离红外光谱实验表明,在氩和氖的惰性基质中,形成了环式M(SO₂)分子及其阴离子M(SO₂)^- (M=Zn, Cd)．相关同位素(³⁴SO₂和S¹⁸O₂)替代实验及密度泛函理论计算均证实了这一结果．此外,自然电荷布居分析表明电子从金属锌和镉的s轨道转移到了SO₂配体上形成了M⁺(SO₂)^-“离子对”复合物,且该分子中的Zn-O键以及Cd-O键均表现出强的极化共价性．而Hg原子在与SO₂反应中所表现出来的惰性可由其较强的相对论效应所致的6s价电子层收缩与高电离电位得以解     

Cr4+掺杂Li1.14Zn1.43SiO4透明微晶玻璃近红外宽带光谱特性

采用高温熔融法和热处理制备了Cr⁴⁺掺杂Li_1.14Zn_1.43SiO₄微晶玻璃, 探讨了不同热处理温度下样品的物相、微观形貌及发光性能. 结果表明: 580℃热处理2h得到的微晶玻璃, Li_1.14Zn_1.43SiO₄微晶的粒径约为5nm, 在808nm的二极管激发下, 可观察到中心波长位于1226nm, 半高宽为230nm的近红外宽带发射峰, 荧光寿命约为200.73±1.71μs. 随着热处理温度的升高, Cr⁴⁺离子所处的晶体场环境发生了变化, 且可以观察到样品吸收光谱发生微弱的蓝移, 而荧光光谱发生少量的红移, 分析了晶体场环境变化对样品发光性能的影响. 关键词： 铬离子 微晶玻璃 超宽带发光 晶体场     

Metallic nanowires for subwavelength waveguiding and nanophotonic devices

Plasmonics is a rapidly developing field concerning light manipulation at the nanoscale with many potential applications, of which plasmonic circuits are promising for future information technology. Plasmonic waveguides are fundamental elements for constructing plasmonic integrated circuits. Among the proposed different plasmonic waveguides, metallic nanowires have drawn much attention due to the highly confined electromagnetic waves and relatively low propagation loss. Here we review the recent research progress in the waveguiding characteristics of metallic nanowires and nanowire-based nanophotonic devices. Plasmon modes of both cylindrical and pentagonal metallic nanowires with and without substrate are discussed. Typical methods for exciting and detecting the plasmons in metallic nanowires are briefly summarized. Because of the multimode characteristic, the plasmon propagation and emission in the nanowire have many unique properties, benefiting the design of plasmonic devices. A few nanowire-based devices are highlighted, including quarter-wave plate, Fabry-Prot resonator, router and logic gates.     

Interaction and local magnetic moments of metal phthalocyanine and tetraphenylporphyrin molecules on noble metal surfaces

In order to understand the Kondo effect observed in molecular systems, first-principles calculations have been widely used to predict the ground state properties of molecules on metal substrates. In this work, the interaction and the local magnetic moments of magnetic molecules （3d-metal phthalocyanine and tetraphenylporphyrin molecules） on noble metal surfaces are investigated based on the density functional theory. The calculation results show that the dz2 orbital of the transition metal atom of the molecule plays a dominant role in the molecule-surface interaction and the adsorption energy exhibits a simple declining trend as the adsorption distance increases. In addition, the Au（111） surface generally has a weak interaction with the adsorbed molecule compared with the Cu（ll 1） surface and thus serves as a better candidate substrate for studying the Kondo effect. The relation between the local magnetic moment and the Coulomb interaction U is examined by carrying out the GGA＋U calculation according to Dudarev＇s scheme. We find that the Coulomb interaction is essential for estimating the local magnetic moment in molecule-surface systems, and we suggest that the reference values of parameter U are 2 eV for Fe and 2-3 eV for Co.