Evidence for the short-period oscillations in spin-resolved photoemission of thin Cr(110) films

The spin-resolved electronic structure of thin Cr overlayers on top of the Fe(110) surface was investigated by means of spin- and angle-resolved photoelectron spectroscopy. The initial fast drop of photoelectron spin-polarization at the Fermi level, followed by weak oscillatory behavior with the period of about 2 ML, can give an evidence for the first time spectroscopic observation of the short period oscillations in (110)-oriented thin Cr films.     

Mechanism of the reaction of neutral and anionic N-nucleophiles with α-halocarbonyl compounds

N-Acylalkylation of neutral and anionic N-nucleophiles with α-halocarbonyl compounds was investigated by quantum chemical methods in terms of the density functional theory and by experimental methods for 2,3-dihydroimidazo[2,1-b]quinazolin-1(10)H-5-one, its N-anion, and simpler model structures. High reactivity of these reagents is determined primarily by stabilization of transition states (TS) by bridge bonds involving halogen or nitrogen atoms rather than by conjugation, as has been commonly accepted. Bridged TS are formed by both the substitution mechanism S _N 2 and the addition-elimination mechanism. α-Haloalkyl-substituted zwitterions, which are potential intermediates of stepwise N-acylalkylation of neutral N-nucleophiles, do not exist in the isolated state, but they are rather efficiently stabilized upon solvation. These zwitterions, as well as analogous O-anions generated from anionic N-nucleophiles, can serve as intermediates of N-acylalkylation, as was demonstrated by localization of the corresponding TS. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1150–1164, June, 2007.     

Global smooth solutions to the multi-dimensional hydrodynamic model for two-carrier plasmas

The existence of global smooth solutions to the multi-dimensional hydrodynamic model for plasmas of electrons and positively charged ions is shown under the assumption that the initial densities are close to a constant. The model consists of the conservation laws for the particle densities and the current densities, coupled to the Poisson equation for the electrostatic potential. Furthermore, it is proved that the particle densities converge exponentially fast to the (constant) steady state. The proof uses a higher-order energy method inspired from extended thermodynamics.     

Electromagnetic properties of strange baryons in a relativistic quark model

We present some of our results for the electromagnetic properties of excited Σ hyperons, computed within the framework of the Bonn constituent-quark model, which is based on the Bethe-Salpeter approach. The seven parameters entering the model are fitted against the best-known baryon masses. Accordingly, the results for the form factors and helicity amplitudes are genuine predictions. We compare with the scarce experimental data available and discuss the processes in which Σ ^*'s may play an important role.     

Effect of various adsorbates in dephasing and population decay of the Cu(1 0 0) image potential states

A theoretical study of the electron dynamics in image potential states on Cu(1 0 0) surfaces with different types of adsorbates is presented. Scattering of the image state electron by an adsorbate induces inter-band and intra-band transitions leading respectively to the population decay and to the dephasing of the image state. We compare results obtained with low coverage (typically 1 adsorbate atom per 1000 surface atoms) Cs, Ar, and a model electronegative adsorbates. As follows from our results, Cs adsorbates lead to both appreciable dephasing and decay, while electronegative adsorbates mostly affect the dephasing rate. The effect of low coverage Ar adsorbates is small, consistent with their neutrality.     

影响产生均匀等离子体状态的几个因素

 用数值模拟方法研究利用辐射加热来产生均匀等离子体状态,它可被用来测量元素的辐射不透明度,校验辐射不透明度理论。研究了在辐射加热铁的“三明治”型靶时影响生成均匀等离子体状态的几个重要因素（样品厚度、CH膜厚度和辐射源）所起的作用，研究发现，当铁等离子体通过热传导达到均匀状态时，其尺度必须与此时的传热距离相当，从而定出铁样品的厚度；低Z介质CH膜对铁等离子体有明显的箍束作用，调整CH膜的厚度可以调节所产生的等离子体状态；调整不同方向上的CH膜厚度，可以控制铁等离子体的膨胀方向，使它尽可能地达到一维膨胀，使得反推出的等离子体密度可以更加准确；样品的种类、厚度以及外面的低Z介质厚度决定了在某时刻能获得的等离子体状态，以及为产生此等离子体状态所需的最低辐射能。     

Level shift operators for open quantum systems

Level shift operators describe the second-order displacement of eigenvalues under perturbation. They play a central role in resonance theory and ergodic theory of open quantum systems at positive temperatures. We exhibit intrinsic properties of level shift operators, properties which stem from the structure of open quantum systems at positive temperatures and which are common to all such systems. They determine the geometry of resonances bifurcating from eigenvalues of positive temperature Hamiltonians and they relate the Gibbs state, the kernel of level shift operators, and zero energy resonances. We show that degeneracy of energy levels of the small part of the open quantum system causes the Fermi Golden Rule Condition to be violated and we analyze ergodic properties of such systems.     

A comparative study on the interaction between tin(II) porphyrin and selected group 8B metals for potential application as reduction catalysts

We study the interaction between tin(II) porphyrin (SnPor) with platinum and non-precious Group 8B metals (iron, cobalt and nickel) by density functional theory and discuss the electronic properties of the resulting products. We also model the interaction of the resulting compounds with water where applicable. Our studies indicate that, SnPor-Ni possesses electronic properties similar to SnPor-Pt, suggesting that it may possess similar photocatalytic properties for reduction reactions, such as converting water to hydrogen gas.     

Zero bias anomaly in the density of states of low-dimensional metals

We consider the effect of Coulomb interactions on the average density of states (DOS) of disordered low-dimensional metals for temperatures T and frequencies ω smaller than the inverse elastic life-time 1/τ. Using the fact that long-range Coulomb interactions in two dimensions (2d) generate ln²-singularities in the DOS ν(ω) but only ln-singularities in the conductivity σ(ω), we can re-sum the most singular contributions to the average DOS via a simple gauge-transformation. If σ(ω) > 0, then a metallic Coulomb gapν(ω) ∝ |ω|/e ⁴ appears in the DOS at T = 0 for frequencies below a certain crossover frequency Ω ₂ which depends on the value of the DC conductivity σ(0). Here, - e is the charge of the electron. Naively adopting the same procedure to calculate the DOS in quasi 1d metals, we find ν(ω) ∝ (|ω|/Ω ₁)^1/2exp(- Ω ₁/|ω|) at T = 0, where Ω ₁ is some interaction-dependent frequency scale. However, we argue that in quasi 1d the above gauge-transformation method is on less firm grounds than in 2d. We also discuss the behavior of the DOS at finite temperatures and give numerical results for the expected tunneling conductance that can be compared with experiments. Received 28 August 2001 / Received in final form 28 January 2002 Published online 9 July 2002