Ionic conductivity in three crystalline phases of LiBH4 under pressure

The AC electrical conductivity of LiBH₄ was investigated below 2 GPa between 1 Hz and 1.6 MHz. The high-temperature phase has an ionic conductivity of up to 0.01 S cm^?1, while the low-temperature phases have conductivities two orders of magnitude lower. All phases show an Arrhenius behaviour with activation energies E _a between 0.5 and 0.7 eV, in good agreement with earlier data except for phase III, which is found to have the highest activation energy of the phases studied. The high-temperature phase has a minimum in E _a near 1 GPa, close to the triple point, correlated with a sudden change in activation volume. These features may indicate an isostructural phase transition. The conductivities of the ambient temperature phases increase temporarily by an order of magnitude after transitions between these phases, probably due to new diffusion channels via structural defects. The phase diagram agrees well with earlier results.     

A generalized Schrödinger equation via a complex Lagrangian of electrodynamics

In this paper we give a generalized form of the Schrödinger equation in the relativistic case, which contains a generalization of the Klein-Gordon equation. By complex Legendre transformation, the complex Lagrangian of electrodynamics produces a complex relativistic Hamiltonian H of electrodynamics, on the holomorphic cotangent bundle T′* M. By a special quantization process, a relativistic time dependent Schrödinger equation, in the adapted frames of (T′* M, H) is obtained. This generalized Schrödinger equation can be expressed with respect to the Laplace operator of the complex Hamilton space (T′*M, H). Finally, under some additional conditions on the proper time s of the complex space-time M and the time parameter t along the quantum state, by the method of separation of variables, we obtain two classes of solutions for the Schrödinger equation, one for the weakly gravitational complex curved space M, and the second in the complex space-time with Schwarzschild metric.     

Electric field assisted annealing effects on microstructure and ionic conductivity in ceria/YSZ oxide heterostructures

The effect of electric field assisted annealing on the microstructure, composition and ionic conductivity properties in CeO₂/YSZ oxide heterostructures have been investigated using molecular dynamics simulations. Amorphization–recrystallization steps were performed with and without external electric field of strength 10?MV/cm along three different orientations: in-plane (YZ), normal (X) and 45° resultant (XY) with respect to the oxide heterointerfaces. The microstructural and compositional differences at the interfaces and in the interior of the oxide heterolayers were evaluated and were found to show a clear correlation with the orientations of the applied field. In particular, the XY configuration displayed a compressive lattice strain of ～9% along with a reduced oxygen vacancy concentration when compared to the others. Ionic density profiles suggest pronounced segregation (～60% higher compared to the average value in the interior) of yttrium ions closer to the YSZ/CeO₂ interface for the XY configuration. Other configurations exhibit minimal to no such variations. These microstructural differences are found to affect the number of mobile charge carriers and the activation barriers associated with ionic migration through the oxide lattice and consequently, influence the ionic conductivity.     

Complex Hyperspherical Equations, Nodal-Partitioning, and First-Excited-State Theorems in ℝ n

Three problems related to the spherical quantum billiard in are considered. In the first, a compact form of the hyperspherical equations leads to their complex contracted representation. Employing these contracted equations, a proof is given of Courant's nodal-symmetry intersection theorem for diagonal eigenstates of spherical-like quantum billiards in . The second topic addresses the first-excited-state theorem for the spherical quantum billiard in . Wavefunctions for this system are given by the product form, ( )Z _q+()Y ⁽ⁿ⁾ , where is dimensionless displacement, is angular-momentum number, qis an integer function of dimension, Z() is either a spherical Bessel function (nodd) or a Bessel function of the first kind (neven) and represents (n– 1) independent angular components. Generalized spherical harmonics are written . It is found that the first excited state (i.e., the second eigenstate of the Laplacian) for the spherical quantum billiard in is n-fold degenerate and a first excited state for this quantum billiard exists which contains a nodal bisecting hypersurface of mirror symmetry. These findings establish the first-excited-state theorem for the spherical quantum billiard in . In a third study, an expression is derived for the dimension of the th irreducible representation (irrep) of the rotation group O(n) in by enumerating independent degenerate product eigenstates of the Laplacian.     

非对称三态叠加多模泛函叠加态光场的高次压缩——广义电场分量的不等幂次和压缩效应研究

多模真空态|{0j}〉q与两个空间强度分布特征不同的多模复共轭泛函相干态|{f(j a)*(x,y,z)}〉q和|{f(j b)*(x,y,z)}〉q的线性叠加组成的三态叠加多模泛函叠加态光场|ψ(f3)〉q,利用多模压缩态理论,研究了态|ψ(f3)〉q中广义电场分量的不等幂次高次和(H)压缩特性.结果表明:在一定的条件下,态|ψ(f3)〉q的广义电场分量可呈现出周期性变化的任意奇数次和任意偶数次的不等幂次高次H压缩效应;光场的经典振幅和经典初始相位的任意非对称空间分布特征对其压缩程度和压缩深度等压缩特性将产生直接的影响.     

稀土配合物红色有机电致发光器件的研究

以TTA为配体合成了新的共掺杂稀土配合物Tb0.5Eu0.5(TTA)3Dipy,通过与PVK的掺杂,制备了以PVK:Tb0.5Eu0.5(TTA)3 Dipy为发光层的结构为:ITO/PVK:Tb0.5Eu0.5(TTA)3Dipy/BCP/Al的发光器件,在直流电压的驱动下,发现了铕在612 nm处的特征发射,和PVK在410 nm处的发光.此外,还观察到了位于490 nm处的新的发光峰,通过分析研究,认为新的发光来自于稀土配合物的配体和BCP之间相互作用形成的电致激基复合物.用PBD代替了BCP作为电子传输层,制备了结构为:ITO/PVK:Tb0.5Eu0.5(TTA)3DiPy/PBD/Al的发光器件,得到了纯的红色发光.     

Effect of the mutation of carotenoids on the dynamics of energy transfer in light-harvesting complexes （LH2） from Rhodobacter sphaeroides 601 at room temperature

Energy transfers in two kinds of peripheral light-harvesting complexes (LH2) of {Rhodobacter sphaeroides} (RS) 601 are studied by using femtosecond pump--probe spectroscopy with tunable laser wavelength at room temperature. These two complexes are native LH2 (RS601) and green carotenoid mutated LH2 (GM309). The obtained results demonstrate that, compared with spheroidenes with ten conjugated double bonds in native RS601, carotenoid in GM309 containing neurosporenes with nine conjugated double bonds can lead to a reduction in energy transfer rate in the B800-to-B850 band and the disturbance in the energy relaxation processes within the excitonic B850 band.     

Partial wave scattering cross sectionsfor He--HBr collision

A new anisotropic potential is fitted to {\it ab initio} data. The close-coupling approach is utilized to calculate state-to-state rotational excitation partial wave cross sections for elastic and inelastic collisions of He atom with HBr molecule based on the fitted potential. The calculation is performed separately at the incident energies: 75, 100 and 200~meV.The tendency of the elastic and inelastic rotational excitation partial wave cross sections varying with total angular quantum number $J$ is obtained.     

Surface reorientation dynamics of nematic liquid crystals

In this paper we report an experimental investigation on the dynamics of the azimuthal director reorientation at a nematic-solid interface. Three qualitatively different kinds of substrates have been investigated: I) intrinsically anisotropic SiO-substrates (-evaporation), II) isotropic SiO-substrates (-evaporation) and III) rubbed PVA-substrates. In the case II), an in-plane anisotropy was induced cooling slowly the thermotropic nematic liquid crystal (NLC) from the isotropic phase in the presence of a 0.75 T magnetic field. The reorientation dynamic of the surface azimuthal director angle at the switching-on and off of a magnetic (or electric) field has been investigated. All the substrates show comparable azimuthal anchoring energies and two dynamic regimes: a fast dynamic response, driven by the bulk director reorientation and an extremely slow reorientation. The slow dynamics is explained in terms of anisotropic adsorption of NLC molecules on the solid substrate and is well represented by a stretched exponential. Received 7 December 1998     

Comparison of SERRS and RRS excitation profiles of [Fe(tpy)2]2+ (tpy = 2,2':6',2'‐terpyridine) supported by DFT calculations: effect of the electrostatic bonding to chloride‐modified Ag nanoparticles on its vibrational and electronic structure

Nonresonance (or normal) Raman scattering (NRS), resonance Raman scattering (RRS), surface‐enhanced Raman scattering (SERS), and surface‐enhanced RRS (SERRS) spectra of [Fe(tpy)₂]²⁺ complex dication (tpy = 2,2':6',2''‐terpyridine) are reported. The comparison of RRS/NRS and SERRS/SERS excitation profiles of [Fe(tpy)₂]²⁺ spectral bands in the range of 445–780 nm is supported by density functional theory (DFT) calculations, Raman depolarization measurements, comparison of the solid [Fe(tpy)₂](SO₄)₂ and solution RRS spectra, and characterization of the Ag nanoparticle (NP) hydrosol/[Fe(tpy)₂]²⁺ SERS/SERRS active system by surface plasmon extinction spectrum and transmission electron microscopy image of the fractal aggregates (D = 1.82). By DFT calculations, both the Raman active modes and the electronic states of the complex have been assigned to the symmetry species of the D_2d point group. It has been demonstrated that upon the electrostatic bonding of the complex dication to the chloride‐modified Ag NPs, the geometric and ground state electronic structure of the complex and the identity of the three different metal‐to‐ligand charge transfer (¹MLCT) electronic transitions remain preserved. On the other hand, the effect of ion pairing manifests itself by a slight change in localization of one of the electronic transitions (with max. at 552 nm) as well as by promotion of the Herzberg–Teller activation of E modes resulting from coupling of E and B₂ excited electronic states. Finally, the very low, 1 × 10⁻¹¹ M SERRS spectral detection limit of [Fe(tpy)₂]²⁺ at 532‐nm excitation is attributed to a concerted action of the electromagnetic and molecular resonance mechanism, in conjunction to the electrostatic bonding of the complex dication to the chloride‐modified Ag NP surface. Copyright © 2014 John Wiley & Sons, Ltd.