The 2D Rancieite-type manganic acid and its alkali-exchanged derivatives: Part I — Chemical characterization and thermal behavior

The 2D Rancieite type manganic acid was prepared by reduction of KMnO₄ in acidic medium. Its ion exchange behavior allows to prepare alkali derivatives. All compounds were characterized with use of a combination of X-ray diffraction, chemical analyses, TGA, magnetic measurements and spectroscopic techniques. The evolution of their chemical composition versus temperature was studied between 180 and 400 °C. It shows that the dehydration process is partly reversible in these compounds whereas the weak reduction is irreversible. The 2D Rancieite-type manganic acid is readily different from a Birnessite-type phyllomanganate, as shown by several features: the interlayer distance, the ion exchange capacity, the thermal behavior, the interlayer cation content, the manganese average oxidation state, the magnetic behavior and the IR spectrum.     

Thermodynamic derivative properties and densities for hyperbaric gas condensates: SRK equation of state predictions versus Monte Carlo data

The ability of Soave–Redlich–Kwong cubic equation of state (SRK EoS) to predict densities and thermodynamic derivative properties such as thermal expansivity, isothermal compressibility, calorific capacity, and Joule–Thompson coefficients, for two gas condensates over a wide range of pressures (up to 110 MPa) was studied. The predictions of the EoS were compared to Monte Carlo simulation data obtained by Lagache et al. [M.H. Lagache, P. Ungerer, A. Boutin, Fluid Phase Equilibr. 220 (2004) 221]. Two completely different alpha functions for the SRK EoS attractive term were used and their respective effects on the predictions of such properties were analyzed. Also, two different forms of the crossed terms of the attractive parameter, a_ij, and three expressions of the crossed terms of the repulsive parameter, b_ij, were combined in different ways, and predictions were carried out. Little sensitivity of the properties on the chosen alpha function, except for the calorific capacities, was found in the systems studied. The most commonly used combination rules to model phase behavior of reservoir fluids, i.e. geometric and arithmetic forms of a_ij and b_ij, respectively, predicted very deficient results for these fluids at extreme conditions, specially for density calculations.     

相位差与q变形广义相干叠加态的压缩特性

对于q变形的非简谐振子广义相干态的叠加态β〉+eiφβeiδ〉,其量子涨落的可能高阶压缩阶数可以表示为k≠2πn/δ,这里n是整数.当δ=π时,压缩阶数不能是偶数即只能是奇数,这正是q变形非简谐振子广义奇偶相干态的结果.由此表明参数相位差δ对决定q变形的非简谐振子广义相干态叠加态的高阶压缩阶数起决定性作用.     

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     

A detailed analysis of the photoemission spectra of basic thioaromatic monolayers on noble metal substrates

Analysis of photoemission spectra of complex thioaromatic self-assembled monolayers (SAMs) requires the knowledge and understanding of such spectra for the basic systems. Keeping this goal in mind, synchrotron-based high-resolution X-ray photoelectron spectroscopy was used to characterize SAMs formed from the simplest thioaromatic compounds, namely thiophenol, 1,1′-biphenyl-4-thiol and 1,1′;4′,1″-terphenyl-4-thiol on evaporated Au(1 1 1) and Ag(1 1 1) substrates. The acquired S 2p and C 1s spectra were analyzed in terms of fine structure and initial and final state effects in the photoemission process. The assignment of the individual spectral features was considered in detail. Conclusions on quality and chemical and structural homogeneity of the investigated SAMs were derived.     

Mossbauer investigations of corrosion environment influence on Fe valence states in oxide films of zirconium alloys

Mössbauer investigations about iron atom redistribution in oxide films of zirconium alloys subjected to corrosion at 500°C in pure oxygen and water pair have been analysed. The alloys were also subjected to autoclave conditions at a pressure of 10.0 MPa and autoclave conditions at 350°C and at a pressure of 16.8 MPa, using distilled water and water with additives of lithium and fluorine. It is shown that, depending on the corrosion environment, various compounds of iron, such as α-Fe₂O₃, Fe₃O₄, and FeO, as solid solutions of iron in ZrO₂ are formed in oxide films.     

Charge density study under high pressure

The experimental and analytical method of the high-pressure powder experiment at BL10XU, SPring-8, is described. There is no doubt that BL10XU must be one of the most appropriate beam lines for high pressure X-ray diffraction experiment taking advantage of third generation synchrotron source. As an example of the advanced charge density study under high pressure, the structural change of Cs₂Au₂Br₆ by applying pressure is studied by Rietveld/MEM analysis. It reveals that the structural change of Cs₂Au₂Br₆ by applying pressure occurs basically at electron level, such as valence state change and chemical bonding, which may be called the electronic phase transition.     

Anti-Stokes Bands of Intrinsic Radiation in Undoped GaAs Crystals

It has been established that undoped gallium crystals exhibit anti-Stokes radiation with energy corresponding to the interband recombination of these crystals. Its appearance is most probably determined by EL2 defects, and its intensity depends on the product of the cross sections for photoionization of electrons and the holes from these defects.     

Lorentz Invariant Decompositions of the State Vector Spaces and the Basis Problem

We consider a representation of the state reduction which depends neither on its reality nor on the details of when and how it emerges. Then by means of the representation we find necessary conditions, even if not the sufficient ones, for a decomposition of the state vector space to be a solution to the basis problem. The conditions are that the decomposition should be Lorentz invariant and orthogonal and that the associated projections should be continuous. They are shown to be able to determine a decomposition in each of a few examples considered if the other circumstances are taken into account together.     

New isothermal equation of state of solids applied to high pressures

In the present paper, a new two-parameter inverted equation of state (EOS) is developed which is found to be working very well in the high-pressure region. To check its success and validity, this EOS has been applied in a number of solids. The computed volume compression is found to be in very good agreement with the experimental data in the whole range of pressure in all the solids. The minimum and the maximum pressure range used in the present study is 0–320 kbar and 0–3000 kbar, respectively.