We studied the structural, dynamical properties and melting of a quasi-one-dimensional system of charged particles, interacting through a screened Coulomb potential. The ground state energy was calculated and, depending on the density and the screening length, the system crystallizes in a number of chains. As a function of the density (or the confining potential), the ground state configurations and the structural transitions between them were analyzed both by analytical and Monte Carlo calculations. The system exhibits a rich phase diagram at zero temperature with continuous and discontinuous structural transitions. We calculated the normal modes of the Wigner crystal and the magneto-phonons when an external constant magnetic field B is applied. At finite temperature the melting of the system was studied via Monte Carlo simulations using the modif ied Lindemann criterion (MLC). The melting temperature as a function of the density was obtained for different screening parameters. Reentrant melting as a function of the density was found as well as evidence of directional dependent melting. The single chain regime exhibits anomalous melting temperatures according to the MLC and as a check we study the pair correlation function at different densities and different temperatures, which allowed us to formulate a different criterion. Possible connection with recent theoretical and experimental results are discussed and experiments are proposed.
We present an analysis of the structure of the monomethylammonium nitrate (MMAN) compound. Vibrational Raman spectroscopy and X-ray powder diffraction have been used to characterize the bulk phases of MMAN, and assignment of the resonant frequencies has been performed by ab initio (DFT) computations on small clusters of the compound. The theoretical spectra are in excellent agreement with the experimental ones and provide a means by which an interpretation of the hydrogen-bonding network that exists in such compound can be analyzed. In particular, we found that the spectrum of one of the solid phases is structurally very similar to that of the liquid. We present experimental evidence for the existence of such phase both from X-ray data and Raman spectra which, in turn, is easily interpreted with a one-to-one correspondence with the ab initio simulation of the small clusters. A geometric structure of the short-range local arrangement in these two bulk phases is therefore proposed.
The optical properties of anisotropic quantum dots with ellipsoidal shape are investigated and discussed as a function of the dot aspect ratio. The energy spectrum (ground and many excited states) is calculated and analyzed in comparison with the spherical quantum dot. The optical matrix elements in the dipole approximation and the oscillator strengths for the infrared transitions are shown. The main result is that optical processes significantly depend on the radiation polarization in contrast to nonpolarized processes observed for spherical quantum dots. The dot anisotropy is shown to play a fundamental role in determining the dot properties
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