The structural, mechanical, electronic, optical and thermodynamic properties of t-X3_{3}As4_{4} (X == Si, Ge and Sn) by first-principles calculations

The structural, mechanical, electronic, optical and thermodynamic properties of the t-X$_{\mathrm{3}}$As$_{\mathrm{4}}$ (X $=$ Si, Ge and Sn) with tetragonal structure have been investigated by first principles calculations. Our calculated results show that these compounds are mechanically and dynamically stable. By the study of elastic anisotropy, it is found that the anisotropic of the t-Sn$_{\mathrm{3}}$As$_{\mathrm{4}}$ is stronger than that of t-Si$_{\mathrm{3}}$As$_{\mathrm{4}}$ and t-Ge$_{\mathrm{3}}$As$_{\mathrm{4}}$. The band structures and density of states show that the t-X$_{\mathrm{3}}$As$_{\mathrm{4}}$ (Si, Ge and Sn) are semiconductors with narrow band gaps. Based on the analyses of electron density difference, in t-X$_{\mathrm{3}}$As$_{\mathrm{4}}$ As atoms get electrons, X atoms lose electrons. The calculated static dielectric constants, $\varepsilon_{1} (0)$, are 15.5, 20.0 and 15.1 eV for t-X$_{\mathrm{3}}$As$_{\mathrm{4}}$ (X $=$ Si, Ge and Sn), respectively. The Dulong-Petit limit of t-X$_{\mathrm{3}}$As$_{\mathrm{4}}$ is about 10 J mol$^{\mathrm{-1}}$K$^{\mathrm{-1}}$. The thermodynamic stability successively decreases from t-Si$_{\mathrm{3}}$As$_{\mathrm{4}}$ to t-Ge$_{\mathrm{3}}$As$_{\mathrm{4}}$ to t-Sn$_{\mathrm{3}}$As$_{\mathrm{4}}$.Comment: 14 pages, 10 figures, 6 table

A Novel Large Moment Antiferromagnetic Order in K0.8Fe1.6Se2 Superconductor

The discovery of cuprate high Tc superconductors has inspired searching for unconventional su- perconductors in magnetic materials. A successful recipe has been to suppress long-range order in a magnetic parent compound by doping or high pressure to drive the material towards a quantum critical point, which is replicated in recent discovery of iron-based high TC superconductors. The long-range magnetic order coexisting with superconductivity has either a small magnetic moment or low ordering temperature in all previously established examples. Here we report an exception to this rule in the recently discovered potassium iron selenide. The superconducting composition is identified as the iron vacancy ordered K0.8Fe1.6Se2 with Tc above 30 K. A novel large moment 3.31 {\mu}B/Fe antiferromagnetic order which conforms to the tetragonal crystal symmetry has the unprecedentedly high an ordering temperature TN = 559 K for a bulk superconductor. Staggeredly polarized electronic density of states thus is suspected, which would stimulate further investigation into superconductivity in a strong spin-exchange field under new circumstance.Comment: 5 figures, 5 pages, and 2 tables in pdf which arXiv.com cannot tak

Generation and control of Greenberger-Horne-Zeilinger entanglement in superconducting circuits

Going beyond the entanglement of microscopic objects (such as photons, spins, and ions), here we propose an efficient approach to produce and control the quantum entanglement of three macroscopic coupled superconducting qubits. By conditionally rotating, one by one, selected Josephson charge qubits, we show that their Greenberger-Horne-Zeilinger (GHZ) entangled states can be deterministically generated. The existence of GHZ correlations between these qubits could be experimentally demonstrated by effective single-qubit operations followed by high-fidelity single-shot readouts. The possibility of using the prepared GHZ correlations to test the macroscopic conflict between the noncommutativity of quantum mechanics and the commutativity of classical physics is also discussed.Comment: 4 Pages with 1 figure. to appear in Physical Review Letter

Real-Time Hyperbola Recognition and Fitting in GPR Data

The problem of automatically recognising and fitting hyperbolae from Ground Penetrating Radar (GPR) images is addressed, and a novel technique computationally suitable for real time on-site application is proposed. After pre-processing of the input GPR images, a novel thresholding method is applied to separate the regions of interest from background. A novel column-connection clustering (C3) algorithm is then applied to separate the regions of interest from each other. Subsequently, a machine learnt model is applied to identify hyperbolic signatures from outputs of the C3 algorithm and a hyperbola is fitted to each such signature with an orthogonal distance hyperbola fitting algorithm. The novel clustering algorithm C3 is a central component of the proposed system, which enables the identification of hyperbolic signatures and hyperbola fitting. Only two features are used in the machine learning algorithm, which is easy to train using a small set of training data. An orthogonal distance hyperbola fitting algorithm for ‘south-opening’ hyperbolae is introduced in this work, which is more robust and accurate than algebraic hyperbola fitting algorithms. The proposed method can successfully recognise and fit hyperbolic signatures with intersections with others, hyperbolic signatures with distortions and incomplete hyperbolic signatures with one leg fully or largely missed. As an additional novel contribution, formulae to compute an initial ‘south-opening’ hyperbola directly from a set of given points are derived, which make the system more efficient. The parameters obtained by fitting hyperbolae to hyperbolic signatures are very important features, they can be used to estimate the location, size of the related target objects, and the average propagation velocity of the electromagnetic wave in the medium. The effectiveness of the proposed system is tested on both synthetic and real GPR data

Geometric entanglement from matrix product state representations

An efficient scheme to compute the geometric entanglement per lattice site for quantum many-body systems on a periodic finite-size chain is proposed in the context of a tensor network algorithm based on the matrix product state representations. It is systematically tested for three prototypical critical quantum spin chains, which belong to the same Ising universality class. The simulation results lend strong support to the previous claim [Q.-Q. Shi, R. Or\'{u}s, J. O. Fj{\ae}restad, and H.-Q. Zhou, New J. Phys \textbf{12}, 025008 (2010); J.-M. St\'{e}phan, G. Misguich, and F. Alet, Phys. Rev. B \textbf{82}, 180406R (2010)] that the leading finite-size correction to the geometric entanglement per lattice site is universal, with its remarkable connection to the celebrated Affleck-Ludwig boundary entropy corresponding to a conformally invariant boundary condition.Comment: 4+ pages, 3 figure

Enhanced Steroid Metabolites Production by Resting Cell Phytosterol Bioconversion

The steroid metabolites 9-hydroxy-androstenedione (9-OH-AD), androstadienedione (ADD) and androstenedione (AD) are important steroidal pharmaceuticals. In order to raise the production of steroid metabolites, an efficient resting cell phytosterol bioconversion process was developed to produce 9-OH-AD in the presence of hydroxypropyl-β-cyclodextrin (HP-β-CD). Cell growth medium containing phytosterol as an inducer positively improved cell activity. Under aerobic conditions, bioconversion proceeded at 70 g L–1 phytosterol in the presence of HP-β-CD (the optimized molar ratio of HP-β-CD/phytosterol was 1:1) with 30 g L–1 resting Mycobacterium neoaurum NwIB-yV cells (cell dry mass) in a 5-L bioreactor, where 9-OH-AD production and space-time yield reached 36.4 g L–1 and 9.1 g L–1 d–1, respectively. The recycling of cells and HP-β-CD enables cost-saving and industrial applications. This bioprocess was also applied for the production of ADD and AD. The production of these steroid metabolites was much higher than that reported in previous studies

Application of anaerobic granular sludge for competitive biosorption of methylene blue and Pb(II): Fluorescence and response surface methodology

© 2015 Elsevier Ltd. This study assessed the biosorption of anaerobic granular sludge (AGS) and its capacity as a biosorbent to remove Pb(II) and methylene blue (MB) from multi-components aqueous solution. It emerged that the biosorption data fitted well to the pseudo-second-order and Langmuir adsorption isotherm models in both single and binary systems. In competitive biosorption systems, Pb(II) and MB will suppress each other's biosorption capacity. Spectroscopic analysis, including Fourier transform infrared spectroscopy (FTIR) and fluorescence spectroscopy were integrated to explain this interaction. Hydroxyl and amine groups in AGS were the key functional groups for sorption. Three-dimensional excitation-emission matrix (3D-EEM) implied that two main protein-like substances were identified and quenched when Pb(II) or MB were present. Response surface methodology (RSM) confirmed that the removal efficiency of Pb(II) and MB reached its peak when the concentration ratios of Pb(II) and MB achieved a constant value of 1

Isoscaling in the Lattice Gas Model

The isoscaling behavior is investigated using the isotopic/isobaric yields from the equilibrated thermal source which is prepared by the lattice gas model for lighter systems with A = 36. The isoscaling parameters $\alpha$ and -$\beta$ are observed to drop with temperature. The difference of neutron and proton chemical potential shows a turning point around 5 MeV where the liquid gas phase transition occurs in the model. The relative free neutron or proton density shows a nearly linear relation with the N/Z (neutron to proton ratio) of system and the isospin fractionation is observed.Comment: 5 figures, 5 pages; the final version to appear in Phys Rev