Performance of the modified Becke-Johnson potential

Very recently, in the 2011 version of the Wien2K code, the long standing shortcome of the codes based on Density Functional Theory, namely, its impossibility to account for the experimental band gap value of semiconductors, was overcome. The novelty is the introduction of a new exchange and correlation potential, the modified Becke-Johnson potential (mBJLDA). In this paper, we report our detailed analysis of this recent work. We calculated using this code, the band structure of forty one semiconductors and found an important improvement in the overall agreement with experiment as Tran and Blaha [{\em Phys. Rev. Lett.} 102, 226401 (2009)] did before for a more reduced set of semiconductors. We find, nevertheless, within this enhanced set, that the deviation from the experimental gap value can reach even much more than 20%, in some cases. Furthermore, since there is no exchange and correlation energy term from which the mBJLDA potential can be deduced, a direct optimization procedure to get the lattice parameter in a consistent way is not possible as in the usual theory. These authors suggest that a LDA or a GGA optimization procedure is used previous to a band structure calculation and the resulting lattice parameter introduced into the 2011 code. This choice is important since small percentage differences in the lattice parameter can give rise to quite higher percentage deviations from experiment in the predicted band gap value.Comment: 10 pages, 2 figures, 5 Table

Hydromagnetic Instability in plane Couette Flow

We study the stability of a compressible magnetic plane Couette flow and show that compressibility profoundly alters the stability properties if the magnetic field has a component perpendicular to the direction of flow. The necessary condition of a newly found instability can be satisfied in a wide variety of flows in laboratory and astrophysical conditions. The instability can operate even in a very strong magnetic field which entirely suppresses other MHD instabilities. The growth time of this instability can be rather short and reach $\sim 10$ shear timescales.Comment: 6 pages, 5 figures. To appear on PR

High-growth-rate magnetohydrodynamic instability in differentially rotating compressible flow

The transport of angular momentum in the outward direction is the fundamental requirement for accretion to proceed in an accretion disc. This objective can be achieved if the accretion flow is turbulent. Instabilities are one of the sources for the turbulence. We study a differentially rotating compressive flow in the presence of non vanishing radial and azimuthal magnetic field and demonstrate the occurrence of a high growth rate instability. This instability operates in a region where magnetic energy density exceeds the rotational energy density

Observation of ground-state quantum beats in atomic spontaneous emission

We report ground-state quantum beats in spontaneous emission from a continuously driven atomic ensemble. Beats are visible only in an intensity autocorrelation and evidence spontaneously generated coherence in radiative decay. Our measurement realizes a quantum eraser where a first photon detection prepares a superposition and a second erases the "which-path" information in the intermediate state.Comment: 4 pages, 4 figures, to appear in Phys. Rev. Letter

Equation of state of cubic boron nitride at high pressures and temperatures

We report accurate measurements of the equation of state (EOS) of cubic boron nitride by x-ray diffraction up to 160 GPa at 295 K and 80 GPa in the range 500-900 K. Experiments were performed on single-crystals embedded in a quasi-hydrostatic pressure medium (helium or neon). Comparison between the present EOS data at 295 K and literature allows us to critically review the recent calibrations of the ruby standard. The full P-V-T data set can be represented by a Mie-Gr\"{u}neisen model, which enables us to extract all relevant thermodynamic parameters: bulk modulus and its first pressure-derivative, thermal expansion coefficient, thermal Gr\"{u}neisen parameter and its volume dependence. This equation of state is used to determine the isothermal Gr\"{u}neisen mode parameter of the Raman TO band. A new formulation of the pressure scale based on this Raman mode, using physically-constrained parameters, is deduced.Comment: 8 pages, 7 figure

Superconductivity in the Sn-Ba-Sr-Y-Cu-O system

Since Bednorz and Muller discovered high-T(sub c) superconductivity in the La-Ba-Cu-O compound, several families of superconducting oxides have been synthesized. Here, researchers report the results of search for superconductivity in the compounds based on tin, which has a lone electron pair like Bi, Tl, Pb. The following compounds were synthesized: Sn1Ba1Sr1Cu3Ox, Sn1Ba1Ca1Cu3Ox, Sn1Ba1Mg1Cu3Ox, Sn1Sr1Ca1Cu3Ox, Sn1Sr1Mg1Cu3Ox, Sn1Ca1Mg1Cu3Ox. The initial components were oxides and carbonates of the appropriate elements. Standard firing-grinding procedure was used. Final heating was carried out at 960 C during 12 hours. Then the samples were cooled inside the furnace. All the synthesis cycles were carried out in air atmosphere. Among the synthesized compounds only Sn1Ba1Sr1Cu3Ox showed remarkable conductivity. Other compounds were practically dielectrics. Presence of a possible superconductivity in Sn1Ba1Sr1Cu3Ox was defined by using the Meissner effect. At low temperature a deviation from paramagnetic behavior is observed. The hysteresis loops obtained at lower temperatures undoubtly testify to the presence of a superconductive phase in the sample. However, the part of the superconductive phase in the Sn1Ba1Sr1Cu3Ox ceramic turned out to be small, less than 2 percent, which agrees with the estimation from magnetic data. In order to increase the content of the superconductive phase two-valent cations Ba, Sr were partially substituted by univalent (K) and three-valent ones (Y)

Non-equilibrium statistical mechanics of classical nuclei interacting with the quantum electron gas

Kinetic equations governing time evolution of positions and momenta of atoms in extended systems are derived using quantum-classical ensembles within the Non-Equilibrium Statistical Operator Method (NESOM). Ions are treated classically, while their electrons quantum mechanically; however, the statistical operator is not factorised in any way and no simplifying assumptions are made concerning the electronic subsystem. Using this method, we derive kinetic equations of motion for the classical degrees of freedom (atoms) which account fully for the interaction and energy exchange with the quantum variables (electrons). Our equations, alongside the usual Newtonian-like terms normally associated with the Ehrenfest dynamics, contain additional terms, proportional to the atoms velocities, which can be associated with the electronic friction. Possible ways of calculating the friction forces which are shown to be given via complicated non-equilibrium correlation functions, are discussed. In particular, we demonstrate that the correlation functions are directly related to the thermodynamic Matsubara Green's functions, and this relationship allows for the diagrammatic methods to be used in treating electron-electron interaction perturbatively when calculating the correlation functions. This work also generalises previous attempts, mostly based on model systems, of introducing the electronic friction into Molecular Dynamics equations of atoms.Comment: 18 page

Quantum, Multi-Body Effects and Nuclear Reaction Rates in Plasmas

Detailed calculations of the contribution from off-shell effects to the quasiclassical tunneling of fusing particles are provided. It is shown that these effects change the Gamow rates of certain nuclear reactions in dense plasma by several orders of magnitude.Comment: 11 pages; change of content: added clarification of one of the important steps in the derivatio

Slow spin relaxation in a highly polarized cooperative paramagnet

We report measurements of the ac susceptibility of the cooperative paramagnet Tb2Ti2O7 in a strong magnetic field. Our data show the expected saturation maximum in chi(T) and also an unexpected low frequency dependence (< 1 Hz) of this peak, suggesting very slow spin relaxations are occurring. Measurements on samples diluted with nonmagnetic Y3+ or Lu3+ and complementary measurements on pure and diluted Dy2Ti2O7 strongly suggest that the relaxation is associated with dipolar spin correlations, representing unusual cooperative behavior in a paramagnetic system.Comment: Accepted for publication in Physical Review Letter

Nonlinear magneto-optical resonances at D1 excitation of 85Rb and 87Rb in an extremely thin cell

Nonlinear magneto-optical resonances have been measured in an extremely thin cell (ETC) for the D1 transition of rubidium in an atomic vapor of natural isotopic composition. All hyperfine transitions of both isotopes have been studied for a wide range of laser power densities, laser detunings, and ETC wall separations. Dark resonances in the laser induced fluorescence (LIF) were observed as expected when the ground state total angular momentum F_g was greater than or equal to the excited state total angular momentum F_e. Unlike the case of ordinary cells, the width and contrast of dark resonances formed in the ETC dramatically depended on the detuning of the laser from the exact atomic transition. A theoretical model based on the optical Bloch equations was applied to calculate the shapes of the resonance curves. The model averaged over the contributions from different atomic velocity groups, considered all neighboring hyperfine transitions, took into account the splitting and mixing of magnetic sublevels in an external magnetic field, and included a detailed treatment of the coherence properties of the laser radiation. Such a theoretical approach had successfully described nonlinear magneto-optical resonances in ordinary vapor cells. Although the values of certain model parameters in the ETC differed significantly from the case of ordinary cells, the same physical processes were used to model both cases. However, to describe the resonances in the ETC, key parameters such as the transit relaxation rate and Doppler width had to be modified in accordance with the ETC's unique features. Agreement between the measured and calculated resonance curves was satisfactory for the ETC, though not as good as in the case of ordinary cells.Comment: v2: substantial changes and expanded theoretical model; 13 pages, 10 figures; accepted for publication in Physical Review