The structural,electronic and magnetic properties of Ag4M and Ag4MCO (M = Sc–Zn) clusters

The structures, spectra and electronic and magnetic properties of Ag₄M and Ag₄MCO (M?=?Sc–Zn) clusters have been studied using density functional theory and CALYPSO structure searching method. Structural searches show that M atoms except Zn tend to occupy the highest coordination position in the ground state Ag₄M and Ag₄MCO clusters. Carbon monoxide is most easily adsorbed on Ag atom of Ag₄Zn and M atom of other Ag₄M. Infrared and Raman spectra, photoabsorption spectra and photoelectron spectra of Ag₄M and Ag₄MCO clusters are forecasted and can be used to identify these clusters from experiment. Analysis of electronic properties indicates that the adsorption of CO on Ag₄M clusters changes the zero vibrational energy (ZPVE) and increases stability of the host clusters. Dopant atoms except for Zn improve the stability of silver cluster. The Ag₄Ni cluster shows high chemical activity and maximum adsorption energy for carbon monoxide. Magnetism calculations reveal that the magnetic moment of Ag₄M (M?=?Mn–Ni) cluster adsorbed by carbon monoxide is decreased by 2 μ_B. The change of magnetic moment makes it possible to be used as a nanomaterial for carbon monoxide detection. Simultaneously, it is found that the adsorption of CO on Ag₄Cu cluster is a physical adsorption.     

An approximate analysis of the interaction between two tearing modes of the same helicity

The interaction between tearing modes with the mode numbersm=1,n=1 andm=2,n=2 is investigated for different initial amplitudes of the modes, using a single helicity approximation, a step-current profile and a time-independent resistivity. Also included are the results on the temporal behaviour of the amplitude of the uncoupled modem=2,n=2 in the situation with identical equilibrium parameters as ours.     

On the measurement of electron tunnelling time

A suggestion to experimentally measure the electron tunnelling time by observing the tunnelling current cut-off as a function of the magnetic field intensity in semiconductor pn tunnel junctions, when they are placed in a crossed electric and magnetic field configuration, has been made in this paper. A simple and a rigorous quantum mechanical analysis to justify the above proposition have been presented. An order of agreement between the tunnelling time values derived from the published experimental data and our theoretical prediction has been noticed.     

He2 and HeH molecular ions in a strong magnetic field: The Lagrange-mesh approach

Accurate calculations for the ground state of the molecular ions He³⁺₂ and HeH²⁺ placed in a strong magnetic field B?10² a.u.$B?{10}^2\text{a.u.}$ (≈2.35×10¹¹ G$\approx 2.35\times {10}^{11}\text{G}$) using the Lagrange-mesh method are presented. The Born–Oppenheimer approximation of zero order (infinitely massive centers) and the parallel configuration (molecular axis parallel to the magnetic field) are considered. Total energies are found with 9–10 s.d. The obtained results show that the molecular ions He³⁺₂ and HeH²⁺ exist at B>100 a.u.$B>100\text{a.u.}$ and B>1000 a.u.$B>1000\text{a.u.}$, respectively, as predicted in Turbiner and López Vieyra (2007) [1] while a saddle point in the potential curve appears for the first time at B∼80 a.u.$B\sim 80\text{a.u.}$ and B∼740 a.u.$B\sim 740\text{a.u.}$, respectively.     

Carbon-13 Assignments and Revision of the Stereostructures of the Cadinanes 2-Hydroxy-8α-angeloyloxycalamenene and 2-Hydroxy-8α-hydroxycalamenene

The two known cadinanes 2-hydroxy-8α-hydroxycalamenene and 2-hydroxy-8α-angeloyloxycalamenene were isolated from a Louisiana population of Heterotheca subaxillaris.

Their ¹³C NMR spectra were fully assigned by the application of HETCOR, COLOC, COSY, NOESY and DEPT experiments. It was shown on the basis of NOESY experiments that both cadinanes require revision at the stereogenic centre C-7.     

Optical and Thermal Simulator for Laser-assisted Magnetic Recording

“Laser-assisted magnetic recording”, in which a recording media is heated by a laser beam while writing data, is attracting attention as a technology that enables a recording density of 1 Tb/in.². There exists another technology for media in which the recording layer is constructed with many small projections that enable high magnetic coercivity. This is called “patterned media”. For developing hard disk drives using these methods, we developed a simulator that analyzes the optical intensity distribution from the optical head for laser-assisted recording and the temperature profile on the patterned media. The simulator calculates the optical model using the finite-difference time-domain (FDTD) method. The thermal analysis of the three-dimensional model allows fast calculations using the alternating direction implicit (ADI) method. The heat source distribution data for thermal analysis is calculated in order to use the results of optical analysis. The optical and thermal analyses of the laser-assisted recording model were investigated with the simulator.     

Magnetic properties of <Superscript>3</Superscript>He on the recursive lattices

We considered the Heisenberg model on the recursive lattices with multi-spin interaction in a strong magnetic field as an approximation of the two-dimensional kagome lattice, as well as hexagonal recursive lattices as an approximation of triangular lattice, for solid ³He. In a strong magnetic field it is possible to approximate the Heisenberg model with the Izing one. Using dynamic approach, we obtain exact recursion relations for partition functions. Diagrams of the magnetization versus external magnetic field with different spin-exchange parameters and temperatures are presented. Magnetization plateaux, bifurcation points, and doublings are obtained.     

Stimulated-Echo NMR Spectroscopy of Be and Li in Solids: Method and Application to Ion Conductors

The generation of pure quadrupolar stimulated-echo spectra is successfully demonstrated for the spin- probe ⁹Be in a single crystal of triglycine fluoberyllate. This solid exhibits a paraelectric-to-ferroelectric phase transition. From experiments carried out for various mixing times no indications for a slow soft mode could be detected in this crystal. Then ion conducting lithium metal phosphates were studied using ⁷Li, another spin- probe which allows for a non-selective excitation of the entire NMR spectrum. In the indium and the scandium phosphates ultra-slow Li hopping processes could be detected directly via the stimulated-echo technique in a time range of up to four orders of magnitude. Due to the relatively large gyromagnetic ratio and thus strong dipolar interactions of ⁷Li no pure quadrupolar echoes could be generated. However, from a variation of the evolution times the quadrupolar effects could be separated from the dipolar ones. Finally, the differences in the ion hopping times of lithium indium phosphate and of lithium scandium phosphate are briefly discussed.     

基于金属-介质纳米结构磁激元效应的石墨烯增强吸收研究

石墨烯作为一种单层碳原子厚度的二维材料,其在可见光和近红外波段的吸收率只有2.3%。这大大限制了其在太阳能电池、光电探测等领域的应用。本文提出一种金属-介质组成的周期纳米结构,利用纳米结构中激发的磁激元共振(Magentic Polaritons,"MP")效应,实现了石墨烯在近红外波段的吸收增强。利用有限元法的理论仿真,系统研究了纳米结构参数对石墨烯吸收特性的影响。结果表明,在特定结构参数下,能使石墨烯的吸收率增大16倍左右。利用Inductor-Capacitor(LC)电路模型成功解释了石墨烯的吸收增强的物理机制,预测了复合系统的磁激元共振峰波长,发现石墨烯的存在不影响磁激元共振峰的位置。文中提出的纳米结构在加工上易于实现,研究结果将在基于石墨烯的新型光电子器件的设计和实现方面有潜在应用价值。