经式8-羟基喹啉铝的光谱与激发性质密度泛函

经式8-羟基喹啉铝(mer-Alq3)是一种光电性能优良的小分子有机半导体发光材料.本文采用密度泛函理论(DFT)B3LYP/6-31G*方法和基组对其进行结构优化,计算并研究了该分子的红外光谱、拉曼光谱和前线轨道.计算得到的红外光谱、拉曼光谱均与实验相符.前线轨道表明基态最高占据轨道(HOMO)的电子云主要集中在苯酚环,最低未占据轨道(LUMO)的电子云主要集中在吡啶环.用含时密度泛函理论(TDDFT)计算得到紫外-可见吸收光谱,采用空穴-电子分析法研究了电子激发特征.结果表明:电子从基态到激发态的跃迁,主要是8-羟基喹啉环内或环间的电荷转移,以π-π*跃迁为主,包括局域激发和电荷转移激发两种类型.本工作对mer-Alq3分子发光机理提出更深入的认识,能为进一步提高该分子发光效率和调控分子的发光范围提供一定的理论指导.     

Steered coherence and entanglement in the Heisenberg XX chain under twisted boundary conditions

We study steered coherence(SC) and entanglement in a three-spin Heisenberg XX model under twisted boundary conditions and show that their strengths can be significantly enhanced by tuning the twist angle. The optimal twist angle θ_(opt) for achieving the maximum l_1 norm of SC is π in the region of weak field B and decreases gradually from π to 0 when B increases after a critical value, while for the relative entropy of SC, θ_(opt) equals π in the weak field region and 0 otherwise.The entanglement and the critical temperature above which the entanglement vanishes can also be significantly enhanced by tuning the twist angle from 0 to π.     

High speed all-silicon optical modulator

Electrorefractive effect is experimentally demonstrated in an all-silicon optical structure. A highly doped Si P⁺ layer is embedded in the intrinsic region of a PIN diode integrated in a SOI waveguide. Holes are confined at equilibrium around the P⁺ layer. By applying a reverse bias to the diode, electrical field sweeps the carriers out of the active region. Free carrier concentration variations are responsible for local refractive index variations leading to an effective index variation of the waveguide optical mode and to an optical absorption variation. As a figure of merit, the product V_πL_π, determined from the measured effective index variation, is equal to 3.1 V cm. Furthermore, the device performances have theoretically been investigated. Estimations show that V_πL_π as small as 1 V cm are feasible using optimized structures. Response times lower than 2 ps are predicted, which gives the possibility to achieve very high-speed modulation. Furthermore, a temperature increases from 300 to 400 K does not change the index variation amplitude, and despite the carrier mobility reduction, response times are still lower than 2 ps.     

Generalizations of distorted wave impulse approximation for nuclear (π+, π0) reactions

It is shown that corrections to the ordinary distorted wave impulse approximation are uniquely important for (π⁺, π⁰) reactions in the 3,3 region and have a significant effect towards improving agreement with the existing experiments.     

Study of scalar meson a0(980) from B→a0(980)π decays

In this paper, we calculate the branching ratios and the direct CP-violating asymmetries for decays B0 →a00(980)π0, a0+(980)π-, a0-(980)π and B- →a00(980)π-, a0-(980)π0 by employing the perturbative QCD (pQCD) factorization approach at the leading order. We found that (a) the pQCD predictions for the branching ratios are around (0.4 - 2.8) × 10-6, consistent with currently available experimental upper limits; (b) the CP asymmetries of B0→ao(980)π0 and B-→a0-(980)π0 decays can be large, about (70-80)% for α = 100°.     

Inclusive and semi-inclusive ϱ0 production in π−p interactions at 15 GeV/c

We have done an inclusive study of ?⁰ production in π^?p interactions at 15 GeV/c. Evidence for two different production mechanisms, in addition to the known quasi two-body processes, is presented: production of ?⁰'s in the central region of rapidity similar to the “pionization” region seen in the inclusive studies of pions; and forward production in the beam dissociation region of rapidity. Cross sections and rapidity distributions for the ?⁰ are given inclusively and by topology, and the results are compared with similar studies at other energies and with other incident particles. Results are also presented for the semi-inclusive reaction π^?p → p?⁰ + X^? and the exclusive final state pπ^??⁰.     

Residual Bose-Einstein correlations in inclusiveπ + π − systems and theρ(770)0 line shape in multihadronicZ 0 decay

It is shown that in jet-like particle systems with multiplicities typical of multihadronicZ ⁰ decay, Bose-Einstein correlations acting between identical pions may have significant indirect effects on the phase space for pairs of non-identical pions. These effects have a direct bearing on experimental studies of Bose-Einstein correlations, particularly with regard to the use ofπ ⁺ π ^? distributions as reference samples. In addition they may distort the line shape of the broad ρ(770)⁰ resonance decaying viaπ ⁺ π ^?. The observed line shape of theρ ⁰ depends on the details of the production and decay amplitudes, and the shape ofπ ⁺ π ^? mass spectra in theρ ⁰ mass region may be affected by a number of other phenomena includingρ ⁰?ω interference and interference with coherentπ ⁺ π ^? backgrounds. Various models are discussed, with particular emphasis on studies of inclusive ρ(770)⁰ production inZ ⁰ decays at LEP.     

Exchange-component analysis of neutral pseudoscalar meson photoproduction

π⁰ and η photoproduction data in the region of 4 GeV are decomposed into t-channel exchange components of definite isospin and parity. The latter are discussed in terms of Regge exchange models and compared to vector-meson dominance related processes. The isospin-one natural parity-exchange component is smooth and structureless. The dominant unatural parity exchange in π⁰ photoproduction has isospin zero. As in π^± photoproduction the ratio of natural to unnatural parity exchange is found to be larger than the vector-dominance expectation. Complementary information from a recent spin decomposition of γp → π⁰p gives further insight into the SU (3) properties of the exchanges. We predict unmeasured quantities and stress, in particular, the importance of studying γn → π⁰n with polarised photons.     

Derivation and implications of rigorous absolute bounds for ππ partial waves up to 1 GeV

Generalized dispersion relations and axiomatic results are used to derive absolute upper bounds for the ππ partial waves in a complex energy domain containing the physical region up to 1 GeV. As applications, a new lower bound for the π⁰π⁰ S-wave scattering length is given and some ambiguities in the connection between resonances and second sheet poles are removed.     

Study of the process e+e-→π+π-π0π0 at energies √s< 1 GeV

In an experiment with the Spherical Neutral Detector at VEPP-2M collider the cross section of the process e+e-→π+π-π0π0 was measured. At energies √s < 920 MeV this cross section was measured for the first time. The energy dependence of the cross section is well discribed by the vector dominance model with contributions from ρ, ρ' ρ", mesons. The decay probability ρ→π+π-π0π0was found to be Bρ = (1.60±0.74±0.18)×10-5. The upper limit for the decay ω→π+π-π0π0 was improved by two orders of magnitude compared to the previous measurements and is Bω < 2 × 10-4 at 90% confidence level.     

First observation of the decays B(0) → D(+)K(-)π(+)π(-) and B(-) → D(0)K(-)π(+)π(-)

First observations of the Cabibbo-suppressed decays B(0) → D(+)K(-)π(+)π(-) and B(-) → D(0)K(-)π(+)π(-) are reported using 35 pb(-1) of data collected with the LHCb detector. Their branching fractions are measured with respect to the corresponding Cabibbo-favored decays, from which we obtain B(B(0) → D(+)K(-)π(+)π(-))/B(B(0) → D(+)π(-)π(+)π(-))=(5.9±1.1±0.5)×10(-2) and B(B(-) → D(0)K(-)π(+)π(-))/B(B(-) → D(0)π(-)π(+)π(-))=(9.4±1.3±0.9)×10(-2), where the uncertainties are statistical and systematic, respectively. The B(-) → D(0)K(-)π(+)π(-) decay is particularly interesting, as it can be used in a similar way to B(-) → D(0)K(-) to measure the Cabibbo-Kobayashi-Maskawa phase γ.     

On the Mixed Propagator Approach to ρ-ω Mixing

The mixed propagator (MP) approach to ρ-ω mixing is discussed. It is found that under the pole-approximation assumption the results of MP approach is not compatible both with the effective Lagrangian theory and with the experiment measurement criterion. To overcome these inconsistent, we propose a new MP approach in which the physical states of ρ and ω are determined by the requirement of experimental measurement to meson resonance. In terms of this new MP approach, the EM pion form factor F_π and form factors of ρ⁰→π⁰γ and of ω→π⁰γ are derived. The results of F_π are in good agreement with data. The form factor of ρ⁰→π⁰γ exhibits a hidden charge-asymmetry enhancement effect which agrees with the prediction of the effective Lagrangian theory.     

Spin-rotation measurements in π−p → K0Λ

The first measurements of spin-rotation in meson-baryon scattering in the resonance region are presented. These measurements, for the reaction π^?p → K⁰Λ, confirm the main predictions of a previous partial-wave analysis. Comments are made on resonant couplings in the reaction π^?p → K⁰Λ.     

Energy dependence of the cross sections for the e<Superscript>+</Superscript>e<Superscript>–</Superscript> → hadrons process near the production threshold for the <Emphasis Type="Italic">N</Emphasis><Emphasis Type="Italic">N̄</Emphasis> pair

The energy dependence of the cross sections for the processes e⁺e^? → π⁺π^?π⁰, K⁺K^?, ηπ⁺π^?, ωπ₀, and K⁺K^?π⁺π^? is studied near the production threshold for a nucleon–antinucleon pair. It is shown that, within the measurement errors, the cross sections in question behave smoothly in this energy region.     

Production of the neutral top-pion πt0 in association with a high-pw jet al the LHC

In the framework of the topcolor-assisted technicolor (TC2) model, we study the production of the neutral top-pion πt0 in association with a high-pT jet al the LHC, which proceeds via the partonic processes gg→πt0g, gq→πt0q, qq→πt0g, gb(b)→πt0b(b), and bb→πt0g. We find that it is very challenging to detect the neutral top-pion πt0 via the process pp→πt0 +jet-t-X→tt +jet + X, while the possible signatures of πt0 might be detected via the process pp→πt0 +jet+X→(tc+tc)+jet+X at the LHC.     

Study of ππ production in two-photon collisions at Belle

We have measured the cross section for π+π- production in two-photon collisions using a data sample with an integrated luminosity of 85.9 fb-1 collected with the Belle detector. The f0(980) resonance is observed as a peak in the energy spectrum of the cross section. We also report preliminary results for γγ→π0π0 with two-photon center-of-mass energies ranging from 0.6 to 4.0 GeV, based on a 95 fb-1 data sample. We find at least four resonant structures including a peak from f0(980). In addition, there is evidence for Xc0 production. We also make a preliminary discussion of the angular dependence and cross section ratio of γγ→π+π- and γγ→π0π0.     

Coherent two pion photoproduction on 12C

We develop the formalism for coherent two pion photoproduction in nuclei and perform actual calculations of cross sections for π⁻π⁺ and π⁰π⁰ photoproduction on ¹²C. We find that due to the isospin symmetry the cross section for π⁰π⁰ production is very small and has a maximum when the pions propagate together. However, the kinematical region where the energies and polar angles of the two π⁰ mesons are equal and their relative azimuthal angle Ø = 180° is forbidden. Conversely in the π⁻π⁺ production the pions prefer to have a relative azimuthal angle 180° and the production of the pions propagating together is suppressed. The dominant one-body mechanism in both channels is related to the excitation of the Δ isobar. Hence the reaction can serve as a source of information about Δ's properties in nucleus. We have found that the reaction is sensitive to effects of the pion and Δ renormalization in the nuclear medium, similar to those found in the coherent (γ, π⁰) reaction, but magnified because of the presence of the two pions.     

Charm mixing from BABAR

We present recent results from BABAR experiment for D0-D0 mixing measurements. Mixing parameters can be measured in different ways using different D0 decay modes, here we discuss the most sensitive analyses such as DO→K+π- where we had the first evidence of charm mixing, the measurement of the ratio of lifetimes of the decays DO→K+K-and DO→π- relative to D0→K-π+, the time dependent Dalitz plot analysis of D0→K+π-π0.New limits on CP-violating time-integrated asymmetries in D0→K+K- and D0→π+π- are also discussed. The analyses presented are based on 384 fb-1 data collected with the BABAR detector at the PEP-Ⅱ asymmetric B Factory.     

pp annihilations into four-and five-pion final states in the T(2190) region

New data from a 600 000 picture exposure of the BNL 31 inch hydrogen bubble chamber to a separated antiproton beam have been analyzed to try to determine if the π⁺π^?π⁺π^? or π⁺π^?π⁺π^?π⁰ final states contribute any broad or narrow structure in the T(2190) region. The resonance channel fractions determined by maximum likelihood fits are all consistent with smooth behavior through the T-region and therefore there is no significant evidence that any of these resonance channels contributes to the broad bump in the total cross section. The errors on some of the fractions, however, limit the sensitivity to ～ 0.5 mb for enhancements in these channels.     

Analysis of the φ → γπη and φ → γπ 0 π 0 decays

We study interference patterns in the φ → (γa ₀+π ⁰ ρ) → γπη and φ → (γf ₀+π ⁰ ρ) → γπ ⁰ π ⁰ reactions. Taking into account the interference, we fit the experimental data and show that the background reaction does not distort the π ⁰ η spectrum in the decay φ → γπη everywhere over the energy region and does not distort the π ⁰ π ⁰ spectrum in the decay φ → γπ ⁰ π ⁰ in the wide region of the π ⁰ π ⁰-system invariant mass, π ^ππ > 670 MeV, or when the photon energy is less than 300 MeV. We discuss the details of the scalar meson production in the radiative decays and note that there are reasonable arguments in favor of the one-loop mechanism φ → K ⁺ K ^? → γa ₀ and φ → K ⁺ K ^? → γf ₀. We also discuss distinctions between the four-quark, molecular, and two-quark models and argue that the Novosibirsk data give evidence in favor of the four-quark nature of the scalar a ₀(980) and f ₀(980) mesons.