No Arabic abstract
We have conducted a thorough study of the acoustic properties between 10^-4 and 1 Kelvin for the amorphous metal Zr_x Cu_1-x (x=0.3 and x=0.4), by measuring the relative change of sound velocity dv/v and internal friction Q^-1 as a function of temperature and also of the applied strain, in both superconducting and normal state. We have found that when plotted versus the ratio of strain energy to thermal energy, all measurements display the same behavior: a crossover from a linear regime of ``independent tunneling systems at very low strains and/or high enough temperatures to a nonlinear regime where dv/v and Q^-1 depend on applied strain and the tunneling systems cannot be considered as independent.
The high frequency dynamics of Indomethacin and Celecoxib glasses has been investigated by inelastic x-ray scattering, accessing a momentum-energy region still unexplored in amorphous pharmaceuticals. We find evidence of phonon-like acoustic dynamics, and determine the THz behavior of sound velocity and acoustic attenuation. Connections with ordinary sound propagation are discussed, along with the relation between fast and slow degrees of freedom as represented by non-ergodicity factor and kinetic fragility, respectively.
We have studied the influence of alloying copper with amorphous arsenic sulfide on the electronic properties of this material. In our computer-generated models, copper is found in two-fold near-linear and four-fold square-planar configurations, which apparently correspond to Cu(I) and Cu(II) oxidation states. The number of overcoordinated atoms, both arsenic and sulfur, grows with increasing concentration of copper. Overcoordinated sulfur is found in trigonal planar configuration, and overcoordinated (four-fold) arsenic is in tetrahedral configuration. Addition of copper suppresses the localization of lone-pair electrons on chalcogen atoms, and localized states at the top of the valence band are due to Cu 3d orbitals. Evidently, these additional Cu states, which are positioned at the same energies as the states due to ([As4]-)-([S_3]+) pairs, are responsible for masking photodarkening in Cu chalcogenides.
In amorphous solids, a non-negligible part of thermal conductivity results from phonon scattering on the structural disorder. The conversion of acoustic energy into thermal energy is often measured by the Dynamical Structure Factor (DSF) thanks to inelastic neutron or X-Ray scattering. The DSF is used to quantify the dispersion relation of phonons, together with their damping. However, the connection of the dynamical structure factor with dynamical attenuation of wave packets in glasses is still a matter of debate. We focus here on the analysis of wave packets propagation in numerical models of amorphous silicon. We show that the DHO fits (Damped Harmonic Oscillator model) of the dynamical structure factors give a good estimate of the wave packets mean-free path, only below the Ioffe-Regel limit. Above the Ioffe-Regel limit and below the mobility edge, a pure diffusive regime without a definite mean free path is observed. The high-frequency mobility edge is characteristic of a transition to localized vibrations. Below the Ioffe-Regel criterion, a mixed regime is evidenced at intermediate frequencies, with a coexistence of propagative and diffusive wave fronts. The transition between these different regimes is analyzed in details and reveals a complex dynamics for energy transportation, thus raising the question of the correct modeling of thermal transport in amorphous materials.
We show that viscoelastic effects play a crucial role in the damping of vibrational modes in harmonic amorphous solids. The relaxation of a given plane wave is described by a memory function of a semi-infinite one-dimensions mass-spring chain. The initial vibrational energy spreads from the first site of the chain to infinity. In the beginning of the chain, there is a barrier, which significantly reduces the decay of vibrational energy below the Ioffe-Regel frequency. To obtain the parameters of the chain, we present a numerically stable method, based on the Chebyshev expansion of the local vibrational density of states.
The discovery of magnetic and compositional effects in the low temperature properties of multi-component glasses has prompted the need to extend the standard two-level systems (2LSs) tunneling model. A possible extension cite{Jug2004} assumes that a subset of tunneling quasi-particles is moving in a three-welled potential (TWP) associated with the ubiquitous inhomogeneities of the disordered atomic structure of the glass. We show that within an alternative, cellular description of the intermediate-range atomic structure of glasses the tunneling TWP can be fully justified. We then review how the experimentally discovered magnetic effects can be explained within the approach where only localized atomistic tunneling 2LSs and quasi-particles tunneling in TWPs are allowed. We discuss the origin of the magnetic effects in the heat capacity, dielectric constant (real and imaginary parts), polarization echo and SQUID magnetization in several glassy systems. We conclude by commenting on a strategy to reveal the mentioned tunneling states (2LSs and TWPs) by means of atomistic computer simulations and discuss the microscopic nature of the tunneling states in the context of the potential energy landscape of glass-forming systems.