Boundedness of semilinear Duffing equations at resonance in a critical situation

In this paper, we propose a sufficient and necessary condition for the boundedness of all the solutions for the equation $\ddot{x}+n^{2}x+g(x)=p(t)$ with the critical situation that $|{\int }_0^{2\pi }p(t)e^{?int}dt|=2|g(+\infty )?g(?\infty )|$ on g and p, where $n\in {\mathbb{N}}^{+}$, $p(t)$ is periodic and $g(x)$ is bounded.     

共振下n维Lienard型方程的2π周期解

本文在跨共振点条件下证明n维Lienard型方程存在2π周期解.     

III-V compound semiconductor (001) surfaces

There has been renewed interest in the structure of III-V compound semiconductor (001) surfaces caused by recent experimental and theoretical findings, which indicate that geometries different from the seemingly well-established dimer models describe the surface ground state for specific preparation conditions. I review briefly the structure information available on the (001) surfaces of GaP, InP, GaAs and InAs. These data are complemented with first-principles total-energy calculations. The calculated surface phase diagrams are used to explain the experimental data and reveal that the stability of specific surface structures depends largely on the relative size of the surface constituents. Several structural models for the Ga-rich GaAs (001)(4×6) surface are discussed, but dismissed on energetic grounds. I discuss in some detail the electronic properties of the recently proposed cation-rich GaAs (001)ζ(4×2) geometry. Received: 18 May 2001 / Revised version: 23 July 2001 / Published online: 3 April 2002     

Nonlinear magneto-optical diffraction by two-dimensional magnetic superstructures

Nonlinear (at the second-harmonic frequency of the incident light) optical reflection by two-dimensional magnetic superstructures is theoretically studied. A square lattice of magnetic dots and a hexagonal lattice of magnetic bubbles (cylindrical magnetic domains) are considered. Because the periods of these structures are comparable with the wavelengths of the fundamental and the second-harmonic radiation, it would be possible to observe diffraction at the second-harmonic frequency. A polarization analysis of nonlinearly diffracted radiation is performed and the numbers of observable diffraction orders for the above structures are estimated. Received: 10 January 2002 / Published online: 11 June 2002     

Atomically precise self-assembly of one-dimensional structures on silicon

This work has three main themes: (1) fabricate atomically precise nanostructures at surfaces, particularly nanowires consisting of atom chains; (2) explore the behavior of one-dimensional electrons in atomic chains; (3) find the fundamental limits of data storage using an atomic scale memory. Semiconductor surfaces lend themselves towards self-assembly, because the broken covalent bonds create elaborate reconstruction patterns to minimize the surface energy. An example is the large 7 × 7 unit cell on Si(1 1 1), which can be used as building block. On semiconductors, the surface electrons completely de-couple from the substrate, as long as their energy lies in the band gap. Angle-resolved photoemission reveals surprising features, such as a fractional band filling and a spin-splitting at a non-magnetic surface. An interesting by-product is a memory structure with self-assembled tracks that are five atom rows wide and store a bit by the presence or absence of a single silicon atom. This toy memory is used to test the fundamental limits of data storage and to see how storage on silicon compares to storage in DNA.     

Energy level alignment between C60 and Al using ultraviolet photoelectron spectroscopy

The energy level alignment between C₆₀ and Al has been investigated by using ultraviolet photoelectron spectroscopy. To obtain the interfacial electronic structure between C₆₀ and Al, C₆₀ was deposited on a clean Al substrate in a stepwise manner. The valence-band spectra were measured immediately after each step of C₆₀ deposition without breaking the vacuum. The measured onset of the highest occupied molecular orbital energy level was located at 1.59 eV from the Fermi level of Al. The vacuum level was shifted 0.68 eV toward lower binding energy with additional C₆₀ layers. The observed vacuum level shift means that the interface dipole exists at the interface between C₆₀ and Al. The barrier height of electron injection from Al to C₆₀ is 0.11 eV, which is smaller value than that of hole injection.     

211At标记蛋白质或多肽的方法研究

α核素211At具有良好的辐射生物学性质,以对肿瘤细胞具有高亲和性的单克隆抗体或多肽类配体为载体则是实现211At肿瘤靶向治疗的最理想方式之一。本文介绍了211At标记蛋白质或多肽的方法的现状与进展,对存在的一些问题及今后的发展方向进行了讨论。     

Medium-size polarized basis sets for high-level-correlated calculations of molecular electric properties

Summary The first-order polarized basis sets for the use in high-level-correlated investigations of molecular electric properties have been generated for Pb, Bi, Po, and At. The performance of the standard [10.17.14.5/13.11.8.2] and extended [20.17.14.9/13.11.8.4] basis sets has been examined in nonrelativistic and quasirelativistic calculations for atoms and simple closed-shell hydrides. The relativistic contributions to electric dipole properties of those systems have been evaluated by using the recently developed quasirelativistic scheme. The predicted dipole polarizability of At is in good agreement with the results of other relativistic calculations. The calculated quasirelativistic dipole moments of BiH₃ (–0.499 a.u.), PoH₂ (–0.207 a.u.), and AtH (+0.036 a.u.) involve a significant relativistic contribution which amounts to —0.230 a.u., –0.177 a.u., and –0.097 a.u., respectively. The basis set details append this paper. They are also available as a part of the basis set library of the MOLCAS system.     

Promotors,poisons and surfactants: Electronic effects of surface doping on metals

The interaction of adsorbates with metal surfaces is discussed. It is shown that the evanescent charge density produced by occupied sp derived surface states yields a considerable contribution to the Pauli repulsion experienced by adsorbate particles with a closed-shell electronic structure, e.g. rare-gases or molecules such as H₂ or N₂. For rare-gases this results in a reduction of the binding energy in the presence of occupied surface states, for molecules this gives rise to an additional contribution to the dissociation barrier. Suitable surface dopants are able to depopulate surface states and thereby to reduce the dissociation barrier. Such dopants can substantially promote catalytic reactions in which the dissociation from the gas phase or a physisorbed precursor is the rate limiting step. In contrast to closed-shell systems the bonding interaction for metal adsorbates on metal substrates is enhanced by occupied surface states. This leads to an extra diffusion barrier at steps, because the surface state amplitude drops to zero at upper step edges. The additional step-edge barrier, which is a kinetic hindrance for layer-by-layer growth, can be reduced by surface dopants depopulating the corresponding surface state. Such dopants promote layer-by-layer growth and act therefore as surfactants. It is concluded that the effect of promoters in catalysis and of surfactants in metal epitaxy is in part due to the same basic mechanism, namely the depopulation of surface states.     

The interplay between geometry,electronic structure,and reactivity of Cu-Ni bimetallic (111) surfaces

The mutual influence of surface geometry (e.g. lattice parameters, morphology) and electronic structure is discussed for Cu-Ni bimetallic (111) surfaces. It is found that on flat surfaces the electronic d-states of the adlayer experience very little influence from the substrate electronic structure which is due to their large separation in binding energies and the close match of Cu and Ni lattice constants. Using carbon monoxide and benzene as probe molecules, it is found that in most cases the reactivity of Cu or Ni adlayers is very similar to the corresponding (111) single crystal surfaces. Exceptions are the adsorption of CO on submonolayers of Cu on Ni(111) and the dissociation of benzene on Ni/Cu(111) which is very different from Ni(111). These differences are related to geometric factors influencing the adsorption on these surfaces. Received: 26 August 2002 / Accepted: 4 September 2002 / Published online: 5 February 2003 RID="*" ID="*"Corresponding author. Fax: +44-1223/76-2829, E-mail: gh10009@cam.ac.uk [+1pt] Present address: University of Cambridge, Lensfield Road, Department of Chemistry, Cambridge CB2 1EW, UK