Electronic, vibrational, and thermodynamic properties of ZnS (zincblende and rocksalt structure)

We have measured the specific heat of zincblende ZnS for several isotopic compositions and over a broad temperature range (3 to 1100 K). We have compared these results with calculations based on ab initio electronic band structures, performed using both LDA and GGA exchange- correlation functionals. We have compared the lattice dynamics obtained in this manner with experimental data and have calculated the one-phonon and two-phonon densities of states. We have also calculated mode Grueneisen parameters at a number of high symmetry points of the Brillouin zone. The electronic part of our calculations has been used to investigate the effect of the 3d core electrons of zinc on the spin-orbit splitting of the top valence bands. The effect of these core electrons on the band structure of the rock salt modification of ZnS is also discussed.Comment: 33pages, 16 Figures, submitted to Phys. Rev.

Polarized far-infrared and Raman spectra of SrCuO2 single crystals

We measured polarized far-infrared reflectivity and Raman scattering spectra of SrCuO$_2$ single crystals. The frequencies for infrared-active modes were determined using an oscillator-fitting procedure of reflectivity data. The Raman spectra were measured at different temperatures using several laser energies $\omega_L$. In addition to eight of twelve Raman active modes, predicted by factor-group analysis, we observed a complex structure in the Raman spectra for polarization parallel to the {\bf c}-axis, which consists of Raman-allowed A$_g$ symmetry modes, and B$_{1u}$ LO infrared-active (Raman-forbidden) modes of the first and higher order as well as their combinations. The Raman-forbidden modes have a stronger intensity at higher $\omega_L$ than the Raman-allowed ones. In order to explain this resonance effect, we measured the dielectric function and optical reflection spectra of SrCuO$_2$ in the visible range. We show that the Raman-allowed A$_g$ symmetry modes are resonantly enhanced when a laser energy is close to $E_0$, while Raman-forbidden (IR-active) modes resonate strongly for laser line energies close to the electronic transition of higher energy gaps.Comment: to be published in Physica

Suppression of decoherence via strong intra-environmental coupling

We examine the effects of intra-environmental coupling on decoherence by constructing a low temperature spin--spin-bath model of an atomic impurity in a Debye crystal. The impurity interacts with phonons of the crystal through anti-ferromagnetic spin-spin interactions. The reduced density matrix of the central spin representing the impurity is calculated by dynamically integrating the full Schroedinger equation for the spin--spin-bath model for different thermally weighted eigenstates of the spin-bath. Exact numerical results show that increasing the intra-environmental coupling results in suppression of decoherence. This effect could play an important role in the construction of solid state quantum devices such as quantum computers.Comment: 4 pages, 3 figures, Revtex fil