Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Laser diagnostics of nanoscale dielectric films on absorbing substrate by differential reflectivity and ellipsometry

The differential reflection characteristics for ultrathin inhomogeneous dielectric film on absorbing substrate are investigated in the long-wavelength approximation. The obtained first-order expressions for differential reflectivity and changes in the ellipsometric angles caused by ultrathin layer are of immediate interest to the solution of the inverse problem. The method to determine the averaged values (not the realistic profile) of refractive index for inhomogeneous nanometric films are shown. The novel possibilities for determining the dielectric constant and thickness of nanoscale homogeneous films by the differential ellipsometric and reflectivity measurements are developed, and a simple method to estimate whether the nanometric film is homogeneous or not is also discussed.     

金属锡促进的a-澳代醋与二硒醚反应合成a一硒代醋

本文报道在四氢吠喃中通过金属锡促进Q_澳代酷与二硒醚反应生成a一硒代酷，反应条件温和，产率良好.     

Electronic properties of model quantum-dot structures in zero and finite magnetic fields

We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method. The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed. Received 16 October 2001 and Received in final form 17 January 2002     

A brief semi-quantitative discussion on electrical conductance through resonant states in metallic electrochemical nanowires

Some aspects of electrical conduction through resonant states in metallic electrochemical nanowires are briefly discussed in a semi-quantitative way by means of concepts associated with electron gas, conductance quantization, and Fermi energy level. Aspects related to some experimental data are also discussed.     

Fe/Si多层膜的层间耦合与界面扩散

对以本征Si及重掺杂ｐ型和ｎ型Si作为中间层的Fe/Si多层膜的层间耦合进行研究，并通过退火，增大Fe，Si之间的扩散，分析界面扩散对层间耦合的影响. 实验结果表明，层状结构良好的制备态的多层膜，Fe，Si之间也存在一定程度的扩散，它是影响层间耦合的 主要因素，远远超过了半导体意义上的重掺杂，使不同种类的Si作为中间层的层间耦合基本 一致.进一步还发现，在一定范围内增大Fe，Si之间的扩散，即使多层膜的层状结构已经有了相当的退化，Fe/Si多层膜的反铁磁耦合强度基本保持不变. 关键词： Fe/Si多层膜 层间耦合 界面扩散     

金属氢研究新进展

简要介绍了金属氢的研究意义和应用前景 ,详细评述了有关的高压实验方法和最近的研究成果及进展 ,特别是固体氢的相图、结构和相变 .近十多年来 ,随着超高压技术的发展 ,已能在金刚石对顶砧 (DAC)上产生30 0GPa的静态压力 ,并可进行高压原位实验研究 .对固体氢进行了高压拉曼、同步辐射X射线、光反射和吸收、同步辐射红外光谱等一系列高压物性和相变研究 .从而确定了固体氢的三个相 ,并提出了可能的相结构 .     

Photo-induced evolution of copper sheets from cluster molecules and its application to photolithographic copper patterning

UV photoexcitation of (t-butylethynyl copper)₂₄ cluster films induces segregation of the crystals into metallic and organic phases and leads to evolve the metallic sheets sandwiched by organic polymers. The growth of the metallic crystals in the plane of the photo-electromagnetic field is attributed due to plasmon-plasmon interaction among nanoparticles embedded in dielectric polymer matrices. The surface enhanced photochemical reaction of residual cluster molecules on the photon incident direction is expected to take an important role for joining the metal particles to produce a metallic sheet. We can apply this phenomenon for photolithographic copper pattern generation on a flexible base plate.     

Thermal conductance for single wall carbon nanotubes

We report a theoretical analysis of the phonon thermal conductance, κ(T), for single wall carbon nanotubes (SWCN). In a range of low temperatues up to 100 K, κ(T) of perfect SWCN is found to increase with temperature, approximately, in a parabolic fashion. This is qualitatively consistent with recent experimental measurements where the tube-tube interactions are negligibly weak. When the carbon-carbon bond length is slightly varied, κ(T) is found to be qualitatively unaltered which implies that the anharmonic effect does not change the qualitative behavior of κ(T). Received 12 June 2001     

Recent Developments in Synchrotron Mössbauer Reflectometry

Hyperfine Interactions - Synchrotron Mössbauer Reflectometry (SMR), the grazing incidence nuclear resonant scattering of synchrotron radiation, can be applied to perform depth-selective phase...