Cohesive energy of zincblende (A<Superscript>III</Superscript>B<Superscript>V</Superscript> and A<Superscript>II</Superscript>B<Superscript>VI</Superscript>) structured solids

In this paper we present an expression relating the cohesive energy (E _coh in kcal/mol) of A^IIIB^V and A^IIB^VI semiconductors with the product of ionic charges (Z ₁ Z ₂) and nearest-neighbour distance d (Å). The cohesive energy values of these solids exhibit a linear relationship when plotted on a log-log scale against the nearest-neighbour distance d (Å), but fall on different straight lines according to the ionic charge product of the solids. A good agreement has been found between the experimental and calculated values of the cohesive energy of A^IIIB^V and A^IIB^VI semiconductors.     

Description of torsional motion in ionic complexes ArH<Stack><Subscript>3</Subscript><Superscript>+</Superscript></Stack> and ArD<Stack><Subscript>3</Subscript><Superscript>+</Superscript></Stack>

An algebraic model that describes the internal dynamics of the ionic complexes ArH₃⁺ and ArD₃⁺ in the ground electronic-vibrational state taking into account the torsional motion of the structure of identical hydrogen nuclei is constructed by symmetry-group chain methods. It is important that the correctness of this model is only limited by the correctness of the choice of geometric symmetry of the internal dynamics of the ionic complex.     

II. Electron-impact dissociative excitation of C<Subscript>2</Subscript>H<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> and C<Subscript>2</Subscript>D<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack>

Absolute cross-sections for electron-impact dissociative ionization of C₂ H₂⁺ and C₂ D₂⁺ to CH⁺, C⁺, C₂⁺ , H⁺, CH₂⁺ and C₂D⁺ fragments are determined for electron energies ranging from the corresponding threshold to 2.5 keV. Results obtained in a crossed beams experiment are analyzed to estimate the contribution of dissociative ionization to each fragment formation. The dissociative ionization cross sections are seen to decrease for more than an order of magnitude, from CH⁺ (5.37±0.10) × 10^-17 cm² over C⁺ (4.19± 0.16) × 10^-17 cm², C₂D⁺ (3.94±0.38) × 10^-17 cm², C₂⁺ (3.82±0.15) × 10^-17 cm² and H⁺ (3.37±0.21) × 10^-17 cm² to CH₂⁺ (2.66±0.14) × 10^-18 cm². Kinetic energy release distributions of fragment ions are also determined from the analysis of the product velocity distribution. Cross section values, threshold energies and kinetic energies are compared with the data available from the literature. Conforming to the scheme used in the study of the dissociative excitation of C₂H₂⁺ ( C₂ D₂⁺ )\left( {\rm C}_2 {\rm D}_2^+ \right), the cross-sections are presented in a format suitable for their implementation in plasma simulation codes.     

III. Electron-impact dissociative ionization of C<Subscript>2</Subscript>H<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> and C<Subscript>2</Subscript>D<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack>

The dynamics of cold atoms in conservative optical lattices obviously depends on the geometry of the lattice. But very similar lattices may lead to deeply different dynamics. In a 2D optical lattice with a square mesh, it is expected that the coupling between the degrees of freedom leads to chaotic motions. However, in some conditions, chaos remains marginal. The aim of this paper is to understand the dynamical mechanisms inhibiting the appearance of chaos in such a case. As the quantum dynamics of a system is defined as a function of its classical dynamics – e.g. quantum chaos is defined as the quantum regime of a system whose classical dynamics is chaotic – we focus here on the dynamical regimes of classical atoms inside a well. We show that when chaos is inhibited, the motions in the two directions of space are frequency locked in most of the phase space, for most of the parameters of the lattice and atoms. This synchronization, not as strict as that of a dissipative system, is nevertheless a mechanism powerful enough to explain that chaos cannot appear in such conditions.     

Exotic molecular states in a strong magnetic field: H<Stack><Subscript>3</Subscript><Superscript>(2+)</Superscript></Stack> ion

The existence of the molecular ion H ₃ ⁽²⁺⁾ in a magnetic field in a triangular and a linear configuration is discussed. A variational method (with an optimization of the form of the vector potential) is used. It is shown that, in the range of magnetic fields 10⁸<B<10¹¹ G, the system (pppe), with the protons forming an equilateral triangle perpendicular to the magnetic line, has a well-pronounced minimum in the total energy. Also, for B?10¹⁰ G, if the protons are situated along a magnetic line (linear configuration), a well-pronounced minimum in the total energy appears. Both configurations are unstable under the decays H(atom) + p + p and H ₂ ⁽⁺⁾ + p. A possible connection between the H ₃ ⁽²⁺⁾ molecular ion and a recently discovered absorption feature in a neutron-star atmosphere is discussed.     

I. Electron-impact ionization and dissociation of C<Subscript>2</Subscript>H<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> and C<Subscript>2</Subscript>D<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack>

Absolute cross-sections for electron-impact ionization and dissociation of C₂H₂⁺ and C₂D₂⁺ have been measured for electron energies ranging from the corresponding thresholds up to 2.5 keV. The animated crossed beams experiment has been used. Light as well as heavy fragment ions that are produced from the ionization and the dissociation of the target have been detected for the first time. The maximum of the cross-section for single ionization is found to be (5.56 ± 0.03)× 10^-17 cm² around 140 eV. Cross-sections for dissociation of C₂ H₂⁺ (C₂D₂⁺) to ionic products are seen to decrease for two orders of magnitude, from C₂D⁺ (12.6 ± 0.3) × 10^-17 cm² over CH⁺(9.55 ± 0.06) × 10^-17 cm², C⁺ (6.66 ± 0.05) × 10^-17 cm², C₂⁺ (5.36 ± 0.27) × 10^-17 cm², H⁺ (4.73 ± 0.29) × 10^-17 cm² and CH₂⁺ (4.56 ± 0.27) × 10^-18 cm² to H₂⁺ (5.68 ± 0.49) × 10^-19 cm². Absolute cross-sections and threshold energies have been compared with the scarce data available in the literature.     

Geometry of the internal dynamics of C<Subscript>2</Subscript>H<Stack><Subscript>3</Subscript><Superscript>+</Superscript></Stack> carbocation

Using the symmetry group chain methods, the internal dynamics of the simplest carbocation, C₂H ₃ ⁺ , is analyzed under the traditional assumptions that the equilibrium structures of the carbocation are planar and that the nonrigid motion between them is in-plane. This geometry of the internal dynamics is shown to agree with the data of the microwave spectroscopy on the splittings of rotational energy levels caused by the nonrigid motion. Previously, this statement was based on the model that violated the requirement of self-adjointness of operators of physical quantities.     

Resonator effects of Ar<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> ionic excimer pumped by electron beam

The third continuum of argon from 200 to 270 nm is obtained by electron beam pumping argon. With the front mirror and the rear mirror, the resonator effects are observed at 240 and 220 nm. Compared with the intensity of fluorescence, the intensity near 240 nm increases more than 10 times when the resonator is formed. In order to explain the origin of the continuum, the kinetic model on Ar₂⁺ and Ar₂²⁺ ionic excimers pumped by electron beam is built and calculated. Based on the theoretical results, the Ar₂⁺ ionic excimer should be responsible for the continuum around 240 nm.     

Influence of configuration interaction on splitting of multiplets of TmF<Stack><Subscript>6</Subscript><Superscript>3−</Superscript></Stack> and TmCl<Stack><Subscript>6</Subscript><Superscript>3−</Superscript></Stack> molecular complexes

The Stark structure of elpasolites activated by Tm³⁺ ions is analyzed with the help of standard and modified crystal field theories. Application of the modified approach reduces considerably the root-mean-square deviation between theoretical and experimental energy values. Crystal field and covalence parameters are determined, the latter being in good agreement with the covalence parameters calculated using microscopic models.     

The effect of temperature and pressure on the heat conductivity of TlSbC<Stack><Subscript>2</Subscript><Superscript>VI</Superscript></Stack> (<Emphasis Type="Italic">C</Emphasis><Superscript>VI</Superscript> → S,Se, Te)

The effect of temperature and pressure on heat conductivity of ternary compounds TiSbC ₂^VI (C ^VI → S, Se, Te) in the solid and liquid states in a temperature range of 300–800 K, as well as under the pressure up to 0.35 GPa in a temperature range of 275–450 K, is studied. The dependence of heat conductivity on average atomic weight under the S → Se → Te transition is found. Analysis of the experimental data makes it possible to attribute TlSbS₂ to the class of substances exhibiting semiconductor-semiconductor melting behavior.     

Investigation of the charge distribution in small cluster ions Ar<Stack><Subscript>13</Subscript><Superscript>+</Superscript></Stack> and Ar<Stack><Subscript>19</Subscript><Superscript>+</Superscript></Stack>

The results of ab initio studies of the atomic and charge structure of small clusters and cluster ions formed by 13 and 19 argon atoms are reported. It was found that the icosahedral atomic structure is energetically the most favorable for such clusters. The calculations demonstrate that when a single electron is removed from a cluster, the excess positive charge is distributed primarily over the surface of the formed cluster ion.     

Kinetics of Rb<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> and Rb<Superscript>+</Superscript> formation in laser-excited rubidium vapor

We have studied the formation of the molecular ion Rb₂⁺ and the atomic ion Rb⁺. These are created in laser excited rubidium vapor at the first resonance, 5s–5p and 5p-nl transitions. A theoretical model is applied to this interaction to explain the time evolution and the laser-power dependence of the population density of Rb⁺ and Rb₂⁺. A set of rate equations which describe: the temporal variation of the population density of the excited states; the atomic ion density; and the electron density, were solved numerically under the experimental conditions of Barbier and Cheret. In their experiment the Rb concentration was 1×10¹³cm⁻³ and the laser power was taken to be 50–500 mW at vapor temperature = 450 K. The results showed that the main processes for producing Rb₂⁺ are associative ionization and Hornbeck-Molnar ionization. The calculations have also showed that, the atomic ions Rb⁺ are formed through the Penning Ionization (PI) and photoionization processes. Moreover, a reasonable agreement between the experimental results and our calculations for the ion currents of the Rb⁺ and Rb₂⁺ is obtained.      

Modification of GaAs by medium-energy N<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> ions

The modification of GaAs with a 2500-eV beam containing N ₂ ⁺ and Ar⁺ ions is examined with Auger electron spectroscopy. Most implanted nitrogen atoms are found to react with the matrix, substituting arsenic atoms to produce a several-nanometer-thick layer of the single-phase GaAs_1−x N_x (x=6%) solid solution. The GaN phase is absent. Displaced arsenic atoms and nitrogen atoms unreacted with the matrix are present in the layer and on its surface. The former segregate, whereas the latter form molecules.     

O<Subscript>2</Subscript> photodesorption from a Ag<Subscript>8</Subscript>O<Stack><Subscript>2</Subscript><Superscript>-</Superscript></Stack> cluster

The decay path of an Ag₈(O₂)^- cluster photoexcited by a 3.1 eV photon is elucidated using time-resolved photoelectron spectroscopy. Photoabsorption results in the formation of an excited state giving rise to a peak in the photoelectron spectra with well-resolved vibrational finestructure. With a lifetime of about 100 fs this bound state decays into an anti-bonding state which dissociates into O₂ and Ag₈^- on a timescale of 10 ps. In the photoelectron spectra, this corresponds to a broad maximum shifting gradually towards higher binding energy while the O₂ and Ag₈^- separate. Finally, the spectrum of bare Ag₈^- appears. This process is unique to small clusters, because on metal surfaces excited state lifetimes are too short to allow for direct dissociation.     

Theoretical study of NO<Stack><Subscript>3</Subscript><Superscript>−</Superscript></Stack> interacting with carbon nanotube

This paper deals with quantum mechanical interaction of no ₃⁻ with (5,5) and (8,0) swcnts. To perform this we have made an ab initio calculation based on the density functional theory. In these framework the electronic density plays a central role and it was obtained of a self-consistent field form. It was observed through binding energy that NO₃⁻ molecule interacts with each nanotube in a physisorption regime. We propose these swcnts as a potential filter device due to reasonable interaction with NO₃⁻ molecule. Besides this type of filter could be reusable, therefore after the filtering, the swcnts could be separated from NO₃⁻ molecule.      

Manifestation of nonuniformity in the electron charge distribution in H<Stack><Subscript>2</Subscript><Superscript>+</Superscript></Stack> molecular ions colliding with each other

The anomalous character of threshold properties in the ion-molecule reactions H ₂ ⁺ + H ₂ ⁺ → H ₃ ⁺ + p and H ₂ ⁺ + H ₂ ⁺ → H + p + H + p has been theoretically analyzed. It has been shown that these reactions proceed through the formation of the intermediate H ₄ ⁺⁺ complex. Molecules H ₂ ⁺ in the collision process are described by a chemical model, where the positive charge is concentrated in one of the nuclei. The calculations of the reaction cross sections are in good agreement with the experimental data. It has been shown that the chemical model of the H ₂ ⁺ molecule can be consistently explained only in terms of dynamic interactions, i.e., polarization forces and van der Waals forces.     

<Emphasis Type="Italic">B</Emphasis><Stack><Subscript>s</Subscript><Superscript>0</Superscript></Stack> physics at LHCb

The LHCb experiment is in preparation, to be ready for the start of the LHC. The physics which will be performed by LHCb is reviewed, focussing on what can be learnt fromB _s ⁰ mesons.     

Nonradiative relaxation of photoexcited O<Stack><Subscript>1</Subscript><Superscript>0</Superscript></Stack> centers in glassy SiO<Subscript>2</Subscript>

The processes involved in the excited-state relaxation of hole O ₁ ⁰ centers at nonbridging oxygen atoms in glassy SiO₂ were studied using luminescence, optical absorption, and photoelectron emission spectroscopy. An additional nonradiative relaxation channel, in addition to the intracenter quenching of the 1.9-eV luminescence band, was established to become operative at temperatures above 370 K. This effect manifests itself in experiments as a negative deviation of the temperature-dependent luminescence intensity from the well-known Mott law and is identified as thermally activated external quenching with an energy barrier of 0.46 eV. Nonradiative transitions initiate, within the external quenching temperature interval, the migration of excitation energy, followed by the creation of free electrons. In the final stages, this relaxation process becomes manifest in the form of spectral sensitization of electron photoemission, which is excited in the hole O ₁ ⁰ -center absorption band.