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     

About Rotational Transitions and Muon Transfer in Muonic Hydrogen–Helium Systems

Hyperfine Interactions - Rotational J=1→J=0 transitions in muonic molecule, (3Heμd) J ++, in [(3Heμd)++,2e]–D and [(3Heμd)++,e]+–D collisions are considered. The...     

Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment

The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a π^* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the standard Watson-Crick pairing scheme. Received 6 April 2002 Published online 13 September 2002     

Propagation of mesons in asymmetric nuclear matter in a density-dependent coupling model

We study the propagation of the light mesons σ,ω,ρ, and a₀(980) in dense hadronic matter in an extended derivative scalar coupling model. Within the scheme proposed it is possible to unambiguously define effective density-dependent couplings at the Lagrangian level. We first apply the model to study asymmetric nuclear matter with fixed isospin asymmetry, and then we pay particular attention to hypermatter in β-equilibrium. The equation of state and the potential contribution to the symmetry coefficient arising from the mean-field approximation are investigated. Received: 16 October 2001 / Accepted: 10 January 2002     

Single chain force spectroscopy - Reading the sequence of HP protein models

We study the elastic properties of single A/B random copolymer chains, with a specific sequence and use them as theoretical model for so called HP proteins. HP proteins carry hydrophilic (P) and hydrophobic (H) monomers. We predict a rich structure in the force-extension relations which can be attributed to the information in the sequence. The variational method is used to probe local minima on the path of stretching and releasing for the chain molecules. At a given force, we find multiple configurations which are separated by energy barriers. A collapsed globular configuration consists of several domains which unravel cooperatively. Upon stretching, the unfolding path shows a stepwise pattern corresponding to the unfolding of each domain. While releasing, several cores can be created simultaneously in the middle of the chain, resulting in a different path of collapse. The long-range interactions and stiffness of the chain simplify the potential landscape given by the disorder in sequence. Received 5 March 2002 / Received in final form 16 May 2002 Published online 13 August 2002     

Controlling global stochasticity of Hamiltonian systems by nonlinear perturbation

A method of controlling global stochasticity in Hamiltonian systems by applying nonlinear perturbation is proposed. With the well-known standard map we demonstrate that this control method can convert global stochasticity into regular motion in a wide chaotic region for arbitrary initial condition, in which the control signal remains very weak after a few kicks. The system in which chaos has been controlled approximates to the original Hamiltonian system, and this approach appears robust against small external noise. The mechanism underlying this high control efficiency is intuitively explained. Received 15 January 2002 Published online 6 June 2002     

Renormalization of the two-photon vacuum polarization and the self energy vacuum polarization for a tightly bound electron

The renormalization method of Bogoljubov-Parasiuk-Hepp-Zimmermann (BPHZ) is used in order to derive the renormalized energy shift due to the gauge invariant K?llén-Sabry diagram of the two-photon vacuum polarization (VPVP) as well as the self energy vacuum polarization S(VP)E beyond the Uehling approximation. It is outlined, that no outer renormalization is required for the two-photon vacuum polarization and that only the inner renormalization has to be accomplished. It is shown that the so-called nongauge invariant spurious term is absent for a wide class of vacuum polarization (VP) diagrams if one applies the widely used spherical expansion of bound and free-electron propagator. This simplifies significantly calculations in bound state quantum electrodynamics. As one result of our paper the use of the BPHZ-approach in bound state QED is established. Received 28 September 2001     

Synthesis and structures of nitroxyalkyl methylphosphonates

The reactions of ethylene glycol mononitrate and glycerol 1,3-dinitrate with methylphosphonic dichloride afforded new nitroxyalkyl methylphosphonates.     

Phase transformation of Ni-B, Ni-P diffusion barrier deposited electrolessly on Cu interconnect

In this paper, we report that the phase transformation of Ni-B, Ni-P diffusion barriers deposited electrolessly on Cu, for the reason that the Ni-P layer is a more effective diffusion barrier than the Ni-B layer. The Ni₃B crystallized was decomposed to Ni and B₂O₃ above 400 °C and the Ni₃P crystallized was decomposed to Ni and P₂O₅ above 600 °C respectively in Ar atmosphere. Also, the Ni₃B was decomposed to Ni and free B above 400 °C and the Ni₃P was decomposed to Ni and free P above 600 °C respectively in H₂ atmosphere. The decomposed Ni formed a solid solution with Cu. The Cu diffusion occurred above 400 °C for Ni-B layer and above 600 °C for Ni-P layer, respectively. Because the decomposition temperature of Ni-P layer is about 200 °C higher than that of Ni-B layer, the Ni-P layer is a more effective barrier for Cu than the Ni-B layer.     

着生刚毛藻处理富营养化湖泊水

分别研究了室内和露天条件下在鹅卵石上着生的刚毛藻Cladophora oligoclona对富营养化湖水中氮(N)和磷(P)的净化效果及其对水华藻类生长的抑制能力,同时对处理后湖水的藻类生长潜力进行了测试.结果显示,刚毛藻在原始浓度总氮(TN)10.512 mg/L和总磷(TP)0.856 mg/L的富营养化湖水中能维持正常的生长代谢,并能有效去除水体中的N、P养分.在室内12 d培养期间,刚毛藻对TN、氨氮(NH4-N)、TP和无机磷(PO4-P)的平均去除率分别达53.13%,44.40%,35.71%和30.53%.在室外6 d培养期间,刚毛藻对TN、NH4-N、TP和PO4-P的日均减少量分别为1.643 5±0.413 9,1.350 3±0.352 4,0.113 7±0.041 1,0.074 2±0.033 0 mg/L,总去除率分别高达93.81%,94.62%,79.67%和77.66%.刚毛藻对水华微囊藻生长的抑制率达99.63%,处理后湖水的藻类生长潜力较原湖水下降了40.17%.据此认为,刚毛藻在净化污染水体、修复受损湖泊及防治水体富营养化等方面具有潜在的应用前景.