Hydrogen absorption in thin ZnO films prepared by pulsed laser deposition

ZnO films with thickness of ~80 nm were grown by pulsed laser deposition (PLD) on MgO (1 0 0) single crystal and amorphous fused silica (FS) substrates. Structural studies of ZnO films and a high quality reference ZnO single crystal were performed by slow positron implantation spectroscopy (SPIS). It was found that ZnO films exhibit significantly higher density of defects than the reference ZnO crystal. Moreover, the ZnO film deposited on MgO substrate exhibits higher concentration of defects than the film deposited on amorphous FS substrate most probably due to a dense network of misfit dislocations. The ZnO films and the reference ZnO crystal were subsequently loaded with hydrogen by electrochemical cathodic charging. SPIS characterizations revealed that absorbed hydrogen introduces new defects into Zn

Positron annihilation spectroscopy study of radiation-induced defects in W and Fe irradiated with neutrons with different spectra

The paper presents new knowledge on primary defect formation in tungsten (W) and iron (Fe) irradiated by fission and high-energy neutrons at near-room temperature. Using a well-established method of positron-annihilation lifetime-spectroscopy (PALS), it was found that irradiation of W in the fission reactor and by high-energy neutrons from the p(35 MeV)-Be generator leads to the formation of small radiation-induced vacancy clusters with comparable mean size. In the case of Fe, smaller mean size of primary radiation-induced vacancy clusters was measured after irradiation with fission neutrons compared to irradiation with high-energy neutrons from the p(35 MeV)-Be generator. It was found that one of the reasons of the formation of the larger size of the defects with lower density in Fe is lower flux in the case of irradiation with high-energy neutrons from the p(35 MeV)-Be source. The second reason is enhanced defect agglomeration and recombination within the energetic displacement cascade at high energy primary knock-on-atoms (PKAs). This is consistent with the concept of the athermal recombination corrected (arc-dpa) model, although the measured dpa cross-section of both fission neutrons and wide-spectrum high-energy neutrons in W is between the conventional Norgett–Robinson–Torrens (NRT-dpa) and arc-dpa predictions. This means that the physics of the primary radiation effects in materials is still not fully known and requires further study through a combination of modeling and experimental efforts. The present data serve as a basis for the development of an improved concept of the displacement process

Defect studies of ZnO films prepared by pulsed laser deposition on various substrates

ZnO thin films deposited on various substrates were characterized by slow positron implantation spectroscopy (SPIS) combined with X-ray diffraction (XRD). All films studied exhibit wurtzite structure and crystallite size 20-100 nm. The mosaic spread of crystallites is relatively small for the films grown on single crystalline substrates while it is substantial for the film grown on amorphous substrate. SPIS investigations revealed that ZnO films deposited on single crystalline substrates exhibit significantly higher density of defects than the film deposited on amorphous substrate. This is most probably due to a higher density of misfit dislocations, which compensate for the lattice mismatch between the film and the substrate

Temporally stable coherent states in energy degenerate systems: The hydrogen atom

Klauder's recent generalization of the harmonic oscillator coherent states [J. Phys. A 29, L293 (1996)] is applicable only in non-degenerate systems, requiring some additional structure if applied to systems with degeneracies. The author suggests how this structure could be added, and applies the complete method to the hydrogen atom problem. To illustrate how a certain degree of freedom in the construction may be exercised, states are constructed which are initially localized and evolve semi-classically, and whose long time evolution exhibits "fractional revivals."Comment: 9 pages, 3 figure

Calculations of the dynamical critical exponent using the asymptotic series summation method

We consider how the Pad'e-Borel, Pad'e-Borel-Leroy, and conformal mapping summation methods for asymptotic series can be used to calculate the dynamical critical exponent for homogeneous and disordered Ising-like systems.Comment: 21 RevTeX pages, 2 figure

The dynamical Green's function and an exact optical potential for electron-molecule scattering including nuclear dynamics

We derive a rigorous optical potential for electron-molecule scattering including the effects of nuclear dynamics by extending the common many-body Green's function approach to optical potentials beyond the fixed-nuclei limit for molecular targets. Our formalism treats the projectile electron and the nuclear motion of the target molecule on the same footing whereby the dynamical optical potential rigorously accounts for the complex many-body nature of the scattering target. One central result of the present work is that the common fixed-nuclei optical potential is a valid adiabatic approximation to the dynamical optical potential even when projectile and nuclear motion are (nonadiabatically) coupled as long as the scattering energy is well below the electronic excitation thresholds of the target. For extremely low projectile velocities, however, when the cross sections are most sensitive to the scattering potential, we expect the influences of the nuclear dynamics on the optical potential to become relevant. For these cases, a systematic way to improve the adiabatic approximation to the dynamical optical potential is presented that yields non-local operators with respect to the nuclear coordinates.Comment: 22 pages, no figures, accepted for publ., Phys. Rev.

Quantum Monte Carlo simulations of solids

Published versio

Hydrogen-Induced Defects in Palladium

In the present work positron annihilation spectroscopy was employed for investigation of hydrogen-induced defects in Pd. Well annealed Pd samples were electrochemically charged with hydrogen and development of defects with increasing hydrogen concentration $x_{H}$ was investigated. At low concentrations (α-phase, $x_{H}$ < 0.017 H/Pd) hydrogen loading introduced vacancies, since absorbed hydrogen segregating at vacancies lowers remarkably the vacancy formation energy. When hydrogen concentration exceeds 0.017 H/Pd, particles of palladium hydride (PdH) are formed. Stress induced by growing PdH particles leads to plastic deformation which generates dislocations and vacancies in the sample