Effect of quantum fluctuations on structural phase transitions in SrTiO_3 and BaTiO_3

Using path-integral Monte Carol simulations and an ab initio effective Hamiltonian, we study the effects of quantum fluctuations on structural phase transitions in the cubic perovskite compounds SrTiO3 and BaTiO3. We find quantum fluctuations affect ferroelectric (FE) transitions more strongly than antiferrodistortive (AFD) ones, even though the effective mass of a single FE local mode is larger. For SrTiO3 we find that the quantum fluctuations suppress the FE transition completely, and reduce the AFD transition temperature from 130K to 110K. For BaTiO3, quantum fluctuations do not affect the order of the transition, but do reduce the transition temperature by 35-50 K. The implications of the calculations are discussed.Comment: Revtex (preprint style, 14 pages) + 2 postscript figures. A version in two-column article style with embedded figures is available at http://electron.rutgers.edu/~dhv/preprints/index.html#wz_qs

First-principles investigation of 180-degree domain walls in BaTiO_3

We present a first-principles study of 180-degree ferroelectric domain walls in tetragonal barium titanate. The theory is based on an effective Hamiltonian that has previously been determined from first-principles ultrasoft-pseudopotential calculations. Statistical properties are investigated using Monte Carlo simulations. We compute the domain-wall energy, free energy, and thickness, analyze the behavior of the ferroelectric order parameter in the interior of the domain wall, and study its spatial fluctuations. An abrupt reversal of the polarization is found, unlike the gradual rotation typical of the ferromagnetic case.Comment: Revtex (preprint style, 13 pages) + 3 postscript figures. A version in two-column article style with embedded figures is available at http://electron.rutgers.edu/~dhv/preprints/index.html#pad_wal

A universal primer for isolation of fragments of a gene encoding phytoene desaturase for use in virus-induced gene silencing (VIGS) studies

We have been using Virus-Induced Gene Silencing (VIGS) to test the function of genes that are candidates for involvement in floral senescence. Although VIGS is a powerful tool for assaying the effects of gene silencing in plants, relatively few taxa have been studied using this approach, and most that have are in the Solanaceae. We typically use silencing of phytoene desaturase (PDS) in preliminary tests of the feasibility of using VIGS. Silencing this gene, whose product is involved in carotene biosynthesis, results in a characteristic photobleaching phenotype in the leaves. We have found that efficient silencing requires the use of fragments that are more than 90% homologous to the target gene. To simplify testing the effectiveness of VIGS in a range of species, we designed a set of universal primers to a region of the PDS gene that is highly conserved among species, and that therefore allows an investigator to isolate a fragment of the homologous PDS gene from the species of interest. We report the sequences of these primers and the results of VIGS experiments in horticultural species from the Asteraceae, Leguminosae, Balsaminaceae and Solanaceae

Monte Carlo study of thermal fluctuations and Fermi-arc formation in d-wave superconductors

From the perspective of thermal fluctuations, we investigate the pseudogap phenomena in underdoped high-temperature curpate superconductors. We present a local update Monte Carlo procedure based on the Green's function method to sample the fluctuating pairing field. The Chebyshev polynomial method is applied to calculate the single-particle spectral function directly and efficiently. The evolution of Fermi arcs as a function of temperature is studied by examining the spectral function at Fermi energy as well as the loss of spectral weight. Our results signify the importance of the vortex-like phase fluctuation on the formation of Fermi arcs.Comment: 9 pages, 3 figures. Figures redraw

Entanglement distribution maximization over one-side Gaussian noisy channel

The optimization of entanglement evolution for two-mode Gaussian pure states under one-side Gaussian map is studied. Even there isn't complete information about the one-side Gaussian noisy channel, one can still maximize the entanglement distribution by testing the channel with only two specific states

Qualitative Analysis of Plant-Derived Samples by Liquid Chromatography-Electrospray Ionization-Quadrupole-Time of Flight-Mass Spectrometry

Purpose: Currently, mass spectrometry has become an effective method for the qualitative analysis of plant-derived samples. Precursor and product ions can be obtained by tandem mass spectrometry, supplying rich information for determining the structural formulas of compounds. In this work, we review the optimization of qualitative methods using liquid chromatography-electrospray ionization-quadrupoletime of flight (LC-ESI-Q-TOF), coupled with ultraviolet and infrared spectroscopy, nuclear magnetic resonance, and mass  spectrometry. This paper provides a systemic reference for researchers engaged in the qualitative analysis of plant-derived samples using LC-ESI-Q-TOF.Keywords: Qualitative analysis, Liquid chromatography-electrospray ionization-quadrupole-time of flight (LC-ESI-Q-TOF), Mass spectrometry, Optimizatio

Initial stage of the 2D-3D transition of a strained SiGe layer on a pit-patterned Si(001) template

We investigate the initial stage of the 2D-3D transition of strained Ge layers deposited on pit-patterned Si(001) templates. Within the pits, which assume the shape of inverted, truncated pyramids after optimized growth of a Si buffer layer, the Ge wetting layer develops a complex morphology consisting exclusively of {105} and (001) facets. These results are attributed to a strain-driven step-meandering instability on the facetted side-walls of the pits, and a step-bunching instability at the sharp concave intersections of these facets. Although both instabilities are strain-driven, their coexistence becomes mainly possible by the geometrical restrictions in the pits. It is shown that the morphological transformation of the pit surface into low-energy facets has strong influence on the preferential nucleation of Ge islands at the flat bottom of the pits.Comment: 19 pages, 7 figure

Quantum Lie algebras associated to Uq(gln)U_q(gl_n) and Uq(sln)U_q(sl_n)

Quantum Lie algebras \qlie{g} are non-associative algebras which are embedded into the quantized enveloping algebras $U_q(g)$ of Drinfeld and Jimbo in the same way as ordinary Lie algebras are embedded into their enveloping algebras. The quantum Lie product on \qlie{g} is induced by the quantum adjoint action of $U_q(g)$. We construct the quantum Lie algebras associated to $U_q(gl_n)$ and $U_q(sl_n)$. We determine the structure constants and the quantum root systems, which are now functions of the quantum parameter $q$. They exhibit an interesting duality symmetry under $q\leftrightarrow 1/q$.Comment: Latex 9 page