Electron phonon interactions and superconductivity in α ′ -TTF[Pd(dmit)2]2

A simple model is developed to understand superconductivity in α ^′ -TTF[Pd(dmit)₂]₂. We include electron-intra molecular and intermolecular phonon interactions as the mechanism of superconductivity. Intramolecular vibrations included are the eight symmetric A_g modes of the Pd(dmit)₂ molecule. Intermolecular vibrations included are the longitudinal acoustic and transverse acoustic (LA and TA) modes of the Pd(dmit)₂ column. All the electron-phonon coupling constants are calculated from first principles. We find that largest el-intramolecular vibration coupling is to the A_g mode with the highest frequency (1449 cm^-1). The el-intermolecular coupling to the LA mode is found to be larger than the total el-intramolecular couplings. We also find el-(TA)phonon coupling to be at least an order of magnitude smaller than el-(LA)phonon coupling. Estimate of superconducting transition temperature is comparable to experimental result. We also provide a detailed discussion, employing the results of recent numerical calculations on two-chain Hubbard model and the specific material parameters, on the relative importance of el-ph and Coulomb-origin mechanisms of superconductivity in α ^′ -TTF[Pd(dmit)₂]₂ and TTF[Ni(dmit) ₂ ] ₂ . Received 29 March 2001 and Received in final form 7 August 2001     

Kr对HF(X1Σ+)基频和泛频的影响

运用Monte-Carlo轨迹法研究了Kr(1Sg)+HF(X1Σ+;ν=1,2,3;J=4)→Kr(1Sg)+HF(X1Σ+,ν',J')的碰撞过程,从而分析Kr原子对HF基频和泛频的影响。研究表明：在初始相对平动能Et≤251.0kJ/mol时,Kr原子能够减少产生基频的粒子数反转,增加产生泛频特别是ν'=2能级的粒子数反转,并且,Kr原子有较强的弛豫高转动态（J'≥4）的能力,因此,Kr原子对HF泛频激光在提高光强和增强大气传输能力方面均有 较大的改善。     

钚气溶胶环境中惰性气体氪迁移过程研究

放射性气体的安全性问题是涉及反应堆运行中必需研究的重要问题.因此在钚气溶胶环境中,对钚材料裂变产生的放射性气体裂变产物,需要研究其在钚气溶胶环境中的迁移过程.对放射性惰性气体Kr87,Kr88的实验测量数据进行了具体分析.依据它们具有钚材料直接裂变和作为固体裂变产物子体两种来源这一物理特性,在不同的制样时间对Kr87/Kr88比值变化规律进行分析.确立了这两种来源的在钚气溶胶环境中的物理图像和迁移过程的物理模型,并与实验数据进行比较以验证模型的正确性. 关键词： 钚气溶胶 气体裂变产物 放射性Kr87/Kr88 迁移过程     

Tailoring Pore Structure and Morphologies in Covalent Organic Frameworks for Xe/Kr Capture and Separation

As a rising star among porous solid materials, covalent organic frameworks(COFs) with excellent properties including but not limit to facilely controllable structure, high porosity, and multi-chemical functionality represent significant potential for efficient ¹²⁷Xe/⁸⁵Kr capture and separation. In this study, through tuning the length of the organic ligands, two-dimensional(2D) COF mate-rials with identical connection group but different pore properties, denoted as ATFG-COF and TpPa-COF with AA-stacking model and TpBD-COF with AB-stacking model were synthesized and tested for Kr and Xe adsorption for the first time. Adsorption measurements indicate that the narrower pore apertures and higher porosity are conducive for COF materials to capture Xe and Kr. Furthermore, the Henry's constant, isosteric heat of adsorption(Q_st), and ideal adsorbed solution theory(IAST) selectivity of ATFG-COF, the pore size of which is closest to the kinetic diameter of the Xe atom(0.41 nm) among 2D COF materials, were carried out based on the single component sorption isotherms. The results illustrate that the high isosteric heat values of Xe/Kr adsorption on ATFG-COF are 25 and 16 kJ/mol at room temperature, respectively. Henry's law predicts that the selectivity factor of Xe to Kr is 6.07, consistent with the adsorption selectivity(ca. 6) calculated based on the IAST.     

Effect of isotopic mass on the photoluminescence spectra of β zinc sulfide

Zinc sulfide is a wide bandgap semiconductor which crystallizes in either the wurtzite modification (α-ZnS), the zincblende modification (β-ZnS) or as one of several similar tetrahedrally coordinated polytypes. In this work, we report a photoluminescence study of different samples of isotopically pure β-ZnS crystals, and crystals with the natural isotopic abundances, at 15 and 77 K. The derivatives of the free and bound exciton energies on isotopic mass have been obtained. They allow us to estimate the contribution of the zinc and sulfur vibrations to the bandgap renormalization energy by electron-phonon interaction. A two-oscillator model based on the zinc and sulfur renormalization energies has been used to account for the temperature dependence of the bandgap energy in ZnS. The results are compared with those found for other tetrahedrally coordinated semiconductors.     

An extremal problem on potentially Kr,s-graphic sequences

We consider a variation of a classical Turán-type extremal problem (F. Chung, R. Graham, Erd s on Graphs: His Legacy of Unsolved Problems, AK Peters Ltd., Wellesley, 1998, Chapter 3) as follows: Determine the smallest even integer σ(K_r,s,n) such that every n-term graphic sequence π=(d₁,d₂,…,d_n) with term sum σ(π)=d₁+d₂++d_nσ(K_r,s,n) is potentially K_r,s-graphic, where K_r,s is a r×s complete bipartite graph, i.e., π has a realization G containing K_r,s as its subgraph. In this paper, we first give sufficient conditions for a graphic sequence being potentially K_r,s-graphic, and then we determine σ(K_r,r,n) for r=3,4.     

轻中等质量核非对称裂变研究的新进展

介绍了轻中等质量核非对称裂变研究的新进展.通过对64,58Ni+12C和78,82,86Kr+12C反应复杂碎片的激发函数测量,发现流行的转动液滴模型和转动有限力程模型均不能复现实验的非对称裂变位垒数据.The excitation functions were measured for complex fragments with atomic number Z=4—25 emitted from the compound nuclei~(70,76)Se and~(90,94,98)Mo produced in the reactions~(64,58)Ni+~(12)C and~(78,82,86)Kr+~(12)C. The extracted mass asymmetric fission barriers have been compared with those calculated from macroscopic nuclear models.     

Analysis of Fabry-Perot interference effects on the modulation properties of liquid crystal displays

In this paper, we present the analysis of Fabry-Perot interferences in a twisted nematic liquid crystal display (LCD), and its influence on the modulation properties of the device. We develop a theoretical analysis based on the Jones matrix formalism and compare the results with the experimental response of a commercial display. The developed theory considers multiple reflections to derive a new Jones matrix for the display, which accounts for both polarization and Fabry-Perot interference effects. The validity of this treatment is limited to normal incidence illumination, but it is much simpler than other 4 × 4 matrix treatments developed for a general oblique incidence. It is shown that the existence of multiple reflections can be added to previously existing simplified models for the display, resulting in a modified Jones matrix with two new parameters: the Fresnel reflection coefficient r and the voltage independent phase Φ. In addition, a calibration procedure is proposed where the calculation of these two new parameters related with the multiple reflections, can be uncoupled from the calculation of the rest of the parameters, related with the modulation properties. We remark the good agreement between the theoretical results and the experimental measurements.     

Isotope effects on the electronic critical points of germanium: Ellipsometric investigation of the and transitions

Within the past years the optical excitations of electrons have been measured for semiconductor samples of different isotope compositions. The isotope shift observed have been compared with calculations of the effects of electron-phonon interaction on the electronic band structure. While qualitative agreement has been obtained, some discrepancies remain especially concerning the E₁ and transitions. We have remeasured the effect of isotope mass on the E₁ and transitions of germanium with several isotopic compositions. The results, obtained by means of spectroscopic ellipsometry, confirm that the real part of the gap self-energies induced by electron-phonon interaction is larger than found from band structure calculations, while the imaginary part agrees with those calculations, which are based on a pseudopotential band structure and a bond charge model for the lattice dynamics. Our results agree with predictions based on the measured temperature dependence of the gaps. We compare our data for E₁ and with results for the lowest direct (E₀) and indirect (E_g) gaps. The measured values of and increase noticeably with increasing isotope mass. Similar effects have been observed in the temperature dependence of in and . A microscopic explanation for this effect is not available. Received: 6 March 1998 / Revised: 27 April 1998 / Accepted: 15 May 1998     

Soft modes and phonon interactions in studied by neutron scattering

The low frequency lattice dynamics and its relationship to the second order paraelectric-to-ferroelectric transition in Sn₂P₂S₆ is studied. The dispersion branches of the acoustic and lowest lying optical phonons in the a^*-c^* plane have been obtained in the ferroelectric phase, for x-polarized phonons. Close to the phase transition a considerable softening is found for the lowest optical mode (P_x), comparable to the behaviour observed in previous Raman investigations. As found previously in Sn₂P₂Se₆, a strong coupling between the TO(P_x) and TA(u_xz) phonons is observed, although, apparently, not strong enough to lead to an incommensurate phase. The soft TO(P_x) mode at the zone center is observed. The temperature dependence of its frequency and damping shows that the transition is not entirely displacive. At low temperatures an unusual apparent negative LO-TO splitting is observed which is shown to arise from the coupling of the x-polarized soft mode to the nearby z-polarized optical phonon. For comparison, the soft TO(P_x) dispersion in the a^*-b^* plane is measured in both the paraelectric and ferroelectric phases. Consistent frequency changes and LO-TO splitting are observed, revealing a significant interaction between the TA(u_yx) and LA(u_xx) acoustics branches and the TO and LO soft optic branches, respectively. In contrast, the nearby y-polarized optic branch shows almost no temperature dependence. Finally, the influence of piezoelectric effects on the limiting acoustic slopes in the ferroelectric phase is discussed. Received: 11 May 1998 / Revised and Accepted: 15 June 1998