Nature of the transition from two- to three-dimensional ordering in a confined colloidal suspension

We report the results of extensive molecular dynamics simulations of solid-to-solid transitions in two- to six-layer colloidal suspensions confined between two smooth parallel walls. The studies are designed to elucidate the ordered particle packings that interpolate between the structures of two- and three-dimensional crystals in a confined space. At a fixed density per layer, as the wall separation increases we find a sequence of stable phases, each characterized by uniform amplitude buckling along the normal to the layer planes. The buckling is coupled to an in-plane ordering transition. The buckled phases alternate with phases whose structures contain only parallel planes of particles. The relative densities of the positively and negatively displaced particles in a buckled layer, the in-plane structures, and the behavior with respect to increasing wall separation of the split density distribution that characterizes a buckled layer, clearly identify these layers as intermediates in the reconstructive transformations ntriangle up-->(n+1) square that occur when the character of the constrained space evolves from being two dimensional to being three dimensional (triangle up denotes layers with hexagonal packing symmetry, while square denotes layers with square packing symmetry). The two transitions, ntriangle up-->n-buckled-->(n+1) square, are found to be first order.     

Initial stages of the interaction of sodium and cesium with gold

The desorption of Cs and Na atoms from the corresponding layers applied to a gold film deposited on textured tungsten ribbon with a preferred orientation of the (100) surface is studied by thermal desorption spectroscopy with the products of thermal desorption scanned on a pulsed time-of-flight mass spectrometer. The Cs atoms evaporated at T = 300 K are desorbed by two phases, one of which can be identified with the filling of a monolayer and the other can be attributed to the formation of the CsAu compound. The Na atoms evaporated at T = 300 K are desorbed by three phases associated with the formation of a monolayer coating, a sodium compound of with gold, and a multilayer sodium film.     

Electron-stimulated desorption of potassium and cesium atoms from oxidized molybdenum surfaces

The electron-stimulated desorption (ESD) yields and energy distributions for potassium (K) and cesium (Cs) atoms have been measured from K and Cs layers adsorbed at 300 K on oxidized molybdenum surfaces with various degrees of oxidation. The measurements were carried out using a time-of-flight method and surface ionization detector. The ESD appearance threshold for K and Cs atoms is independent of the molybdenum oxidation state and is close to the oxygen 2s level ionization energy of 25 eV. Additional thresholds for both K and Cs atoms are observed at about 40 and 70 eV in ESD from layers adsorbed on an oxygen monolayer-covered molybdenum surface; they are associated with resonance processes involving Mo 4p and 4s excitations. The ESD energy distributions for K and Cs atoms consist of single peaks. The most probable kinetic energy of atoms decreases in going from cesium to potassium and with increasing adsorbed metal concentration; it lies in the energy range around 0.35 eV. The K and Cs atom ESD energy distributions from adlayers on an oxygen monolayer-covered molybdenum surface are extended toward very low kinetic energies. The data can be interpreted by means of the Auger stimulated desorption model, in which neutralization of adsorbed alkali-metal ions occurs after filling of holes created by incident electrons in the O 2s, Mo 4s or Mo 4p levels.     

128Cs as the best example revealing chiral symmetry breaking

The results of the Doppler-shift attenuation method lifetime measurements in partner bands of 128Cs and 132La are presented. Experimental reduced transition probabilities in 128Cs are compared with theoretical calculations done in the frame of the core-quasiparticle coupling model. The electromagnetic properties, energy and spin of levels belonging to the partner bands show that 128Cs is the best known example revealing the chiral symmetry breaking phenomenon.     

An electron diffraction study of the misfit layer compound (NdS)nNbS2

Misfit layer compounds of the type (NdS)_nNbS₂ have been made by iodine vapour transport. They have been characterised by energy dispersive X-ray analysis, transmission electron microscopy and electron diffraction. An orthorhombic form with Am2m symmetry has been observed. The unit cell contains two layers of NdS and two layers of NbS₂. The layers have rectangular symmetry and are stacked alternately with their planes perpendicular to the c-axis. A curious feature of the structure is that the layers have a common b unit cell parameter but the a values, which depend on the metal element in a given layer, are incommensurate. The lattice parameters for the material are a = 0.5625 nm for the NdS layer, a = 0.331 nm for the NbS₂ layer, b = 0.5733 nm and c = 2.266 nm. The symmetry of the material observed in the present work is Am2m which differs from the Fm2m reported by others. It is argued that the lower symmetry occurs because of a displacement of Nb atoms in one of the layers in the unit cell. A comparison between calculated and observed electron diffraction patterns and energy arguments are used to support the proposed explanation.     

Electronic structure of ultrathin Cs coatings on a Si(100)2×1 surface

The electronic structure and ionization energy of submonolayer Cs coatings on a Si(100)2×1 surface is investigated by threshold photo-emission spectroscopy. Two surface bands induced by Cs adsorption are observed, and their evolution is studied as a function of coverage. It is found that there are two “adsorption locations” for Cs atoms, where they interact with active dangling bonds at the surface. It has been determined that the Cs/Si(100)2×1 interface is semiconducting all the way down to monolayer coverage. The results show that Cs adsorption is predominantly of a covalent character. Pis’ma Zh. éksp. Teor. Fiz. 65, No. 9, 699–702 (10 May 1997)     

Crystal-Field Levels,Local Lattice Geometry and Electronic Properties of Titanium-Doped Chrysoberyl

The lasing action of titanium-doped chrysoberyl crystal (Ti:BeAl₂04) is related to the crystal-field levels of Ti³⁺ ions at the mirror sites, for which two kinds of energy-level diagrams were suggested under different local symmetries. To ascertain which one is reasonabk, first-principle calculations are performed on the energy levels of Ti³⁺ ions with four cluster models. The study supports the energy-level.diagram suggested by Sugimoto et al. under C, symmetry, but disfavors that proposed by Chiba et al. under D_2h symmetry. Moreover, the results indicate that the impurity will introduce some local lattice distortion within Cs symmetry and a reasonable distorted geometrical configuration of cluster (TiO₆)^9- is proposed, with which experimental data can be satisfactorily explained and for which various electronic properties are further presented.     

理论研究V2O6-的结构和电子性质

采用自旋非限制密度泛函(B3LYP)方法研究了V2O6-的结构和电子性质,得到的基态和前人的理论计算结果不同．V2O6-阴离子是具有C2v对称性的双重基态,而以前Vyboishchikov等人得到的结果为D2h对称性双重基态．V2O6中性分了是具有D2h对称性的开壳层单重基态,它的能量和三重态的非常接近,而Vyboishchikov等人和Calatayud等人分别得到D2h对称性的闭壳层单重基态和Cs对称性的三重基态．从该基态结果出发计算出的电子分离能和实验上的PES谱相符,相反前人得到的电子分离能和实验相差较大．     

Domain wall motion in aperiodic crystal systems and magnetoelectrics

Three classes in the family of aperiodic crystal systems are the displacive modulated phases, the incommensurate composites and quasicrystals. In each of these families one can have a phase transition incommensurate-incommensurate within the incommensurate phase. This transition can be described as a transition from a smooth dependence on the parameters to a discontinuous one. This transition usually is accompanied by the occurrence of a soft excitation that can be considered as a soft phason. The character of the phason and the phase transition is discussed for an example from each class. Finally the situation in a more complicated system with two different subsystems is considered: the case of coupling of a ferroelectric and antiferromagnetic phase.     

Ensemble energy average and energy flow relationships for nonstationary vibrating systems

This paper attempts to introduce a new point of view on energy analysis in structural dynamics with particular emphasis to its link with uncertainty and complexity. A linear, elastic system undergoing free vibrations, is considered. The system is subdivided into two subsystems and their respective energies together with the shared energy flow are analysed.First, the ensemble energy average of the two subsystems, assuming uncertain the natural frequencies, is investigated. It is shown how the energy averages follow a simple law when observing the long-term response of the system, obtained by a suitable asymptotic expansion. The second part of the analysis shows how the ensemble energy average of a set of random samples is representative even of the single case if the system is complex enough.The two previous points, combined, produce a result that applies to the energy sharing between two subsystems even independently of uncertainty: for complex systems, a simple energy sharing law is indeed stated. Moreover, in the case of absence of damping, a nonlinear relation between the energy flow and the energy (weighted) difference between the two subsystems is derived; on the other hand, when damping is present, this relationship becomes linear, including two terms: one is proportional to the energy (weighted) difference between the two subsystems, the other being proportional to its time derivative. Therefore, the approach suggests a way for deriving a general approach to energy sharing in vibration with results that, in some cases, are reminiscent of those met in Statistical Energy Analysis.Finally, computational experiments, performed on systems of increasing complexity, validate the theoretical results.     

The effects of forcing and dissipation on phase transitions in thin granular layers

Recent experimental and computational studies of vibrated thin layers of identical spheres have shown transitions to ordered phases similar to those seen in equilibrium systems. Motivated by these results, we carry out simulations of hard inelastic spheres forced by homogenous white noise. We find a transition to an ordered state of the same symmetry as that seen in the experiments, but the clear phase separation observed in the vibrated system is absent. Simulations of purely elastic spheres also show no evidence for phase separation. We show that the energy injection in the vibrated system is dramatically different in the different phases, and suggest that this creates an effective surface tension not present in the equilibrium or randomly forced systems. We do find, however, that inelasticity suppresses the onset of the ordered phase with random forcing, as is observed in the vibrating system, and that the amount of the suppression is proportional to the degree of inelasticity. The suppression depends on the details of the energy injection mechanism, but is completely eliminated when inelastic collisions are replaced by uniform system-wide energy dissipation.     

Electron stimulated desorption of cesium atoms from germanium-covered tungsten

The electron stimulated desorption (ESD) yield and energy distributions for Cs atoms from cesium layers adsorbed on germanium-covered tungsten have been measured for different Ge film thicknesses, 0.25-4.75 ML (monolayer), as a function of electron energy and cesium coverage Θ. The measurements have been carried out using a time-of-flight method and surface ionization detector. In the majority of measurements Cs is adsorbed at 300 K. The appearance threshold for Cs atoms is about 30 eV, which correlates well with the Ge 3d ionization energy. As the electron energy increases the Cs atom ESD yield passes through a wide maximum at an electron energy of about 120 eV. In the Ge film thickness range from 0.5 to 2 ML, resonant Cs atom yield peaks are observed at electron energies of 50 and 80 eV that can be associated with W 5p and W 5s level excitations. As the cesium coverage increases the Cs atom yield passes through a smooth maximum at 1 ML coverage. The Cs atom ESD energy distributions are bell-shaped; they shift toward higher energies with increasing cesium coverage for thin germanium films and shift toward lower energies with increasing cesium coverage for thick germanium films. The energy distributions for ESD of Cs from a 1 ML Ge film exhibit a strong temperature dependence; at T = 160 K they consist of two bell-shaped curves: a narrow peak with a maximum at a kinetic energy of 0.35 eV and a wider peak with a maximum at a kinetic energy of 0.5 eV. The former is associated with W level excitations and the latter with a Ge 3d level excitation. These results can be interpreted in terms of the Auger stimulated desorption model.     

Uniaxial and biaxial spin nematic phases induced by quantum fluctuations

It is shown that zero point quantum fluctuations completely lift the accidental continuous degeneracy that is found in mean field analysis of quantum spin nematic phases of hyperfine spin-2 cold atoms. The result is two distinct ground states which have higher symmetries: a uniaxial spin nematic and a biaxial spin nematic with dihedral symmetry Dih4. There is a novel first-order quantum phase transition between the two phases as atomic scattering lengths are varied. We find that the ground state of 87Rb atoms should be a uniaxial spin nematic. We note that the energy barrier between the phases could be observable in dynamical experiments.     

CS5Eu(N3)8的晶场参数研究

本文根据CS5Eu(N3)8的结构,用M.Reid的程序计算了它的晶场参数和强度参数,由此得出计算光谱图,同时通过能级拟合,对晶场能级进行了指认,并给出实验中的晶场参数.对它们的对称性进行了讨论.     

Berry phase in a composite system

The Berry phase in a composite system with one driven subsystem has been studied in this Letter. We choose two coupled spin-1 / 2 systems as the composite system; one of the subsystems is driven by a time-dependent magnetic field. We show how the Berry phases depend on the coupling between the two subsystems, and the relation between the Berry phases of the composite system and those of its subsystems.     

Properties of a new ferroelectric crystal family: MCd(NO2)3 [M=NH4, K,Rb, Cs,Tl]

Single crystals of MCd(NO₂)₃, with M=NH₄, K, Rb, Cs, and Tl, respectively, were grown and investigated by means of optical and dielectric methods. The crystals show rhombohedral symmetry (possible space group R 3) and multi-domain patterns at ambient temperature. The compounds exhibit phase transitions above room-temperature of first (M=K) and second order (M=Rb, Cs, Tl), respectively, into cubic high-temperature phases. Observed dielectric anomalies and hysteresis loops point to ferroelectric properties and suggest a relaxational order-disorder mechanism of the nitrite ions to be responsible for the transitions. The MCd-(NO₂)₃-compounds are seen to represent a new family of ferroelectrics with a cubic prototypic phase closely related to the structural type of the perovskites. The transions are classified by symmetry considerations, and a possible structure of the cubic high-temperature phase with space group Pm3 is proposed.     

Description of Chiral Doublet Bands in Odd-Odd Cs Isotopes

Properties of the chair doublet bands of the odd-odd Cs isotopes built on the π h_11/2 \otimes ν h_11/2 configuration are investigated systematicallywithin the supersymmetry scheme including many-body interactions andpossessing the SO(5)(or SU(5)) symmetry on the rotational symmetry.Quantitatively good results of the energy spectra, the energy staggering parameter as a function of the spin are obtained. The calculation shows that the stronger competition between the pairing and anti-pairing effects and the SU(3) symmetry broking more seriously exist in the stable chiral structure.     

Infrared spectra of solid germane

An IR spectroscopic study has shown that GeH₄ molecules are situated on one set of sites of C, symmetry in phase IV. The III–IV transition at 63 K is apparently a second-order phase transition. In phases II and III the molecules are on sites of C_3v. or C₃ symmetry. The II–III phase transition was observed at 67 K. In solid GeD₄, phase transitions were observed at 68.5 and 77 K. In phases II and III the site symmetry is C_I. The II–III phase transition in GeD₄ is apparently second order. There is evidence that the ν₁, vibration of GeD₄ is IR active in the solid state.