A measure of conductivity for lattice fermions at finite density

We study the linear response to an external electric field of a system of fermions in a lattice at zero temperature. This allows to measure numerically the Euclidean conductivity which turns out to be compatible with an analytical calculation for free fermions. The numerical method is generalizable to systems with dynamical interactions where no analytical approach is possible.Comment: version to be published in Physics Letters

Chiral Lagrangians at finite density

The effective SU(2) chiral Lagrangian with external sources is given in the presence of non-vanishing nucleon densities by calculating the in-medium contributions of the chiral pion-nucleon Lagrangian. As a by product, a relativistic quantum field theory for Fermi many-particle systems at zero temperature is directly derived from relativistic quantum field theory with functional methods.Comment: 6 Pages, 3 figures, REVTeX. Extended version. Explicit Feynman rules are give

Spin-phonon interaction and band effects in the high-T_C superconductor HgBa_2CuO_4

Band calculations show that a stripe-like anti-ferromagnetic spin wave is enforced by a 'half-breathing' phonon distortion within the CuO plane of HgBa_2CuO_4. This spin-phonon coupling is increased further by shear distortion and by increased distance between Cu and apical oxygens. The effects from spin-phonon coupling are consistent with many observations in high-T_C materials. Spin-phonon coupling can be important for the mechanism of spin fluctuations and superconductivity, although the effects are quantitatively weak when using the local density potential.Comment: 4 pages, 1 figur

Froth-like minimizers of a non local free energy functional with competing interactions

We investigate the ground and low energy states of a one dimensional non local free energy functional describing at a mean field level a spin system with both ferromagnetic and antiferromagnetic interactions. In particular, the antiferromagnetic interaction is assumed to have a range much larger than the ferromagnetic one. The competition between these two effects is expected to lead to the spontaneous emergence of a regular alternation of long intervals on which the spin profile is magnetized either up or down, with an oscillation scale intermediate between the range of the ferromagnetic and that of the antiferromagnetic interaction. In this sense, the optimal or quasi-optimal profiles are "froth-like": if seen on the scale of the antiferromagnetic potential they look neutral, but if seen at the microscope they actually consist of big bubbles of two different phases alternating among each other. In this paper we prove the validity of this picture, we compute the oscillation scale of the quasi-optimal profiles and we quantify their distance in norm from a reference periodic profile. The proof consists of two main steps: we first coarse grain the system on a scale intermediate between the range of the ferromagnetic potential and the expected optimal oscillation scale; in this way we reduce the original functional to an effective "sharp interface" one. Next, we study the latter by reflection positivity methods, which require as a key ingredient the exact locality of the short range term. Our proof has the conceptual interest of combining coarse graining with reflection positivity methods, an idea that is presumably useful in much more general contexts than the one studied here.Comment: 38 pages, 2 figure

Electron Exchange Coupling for Single Donor Solid-State Qubits

Inter-valley interference between degenerate conduction band minima has been shown to lead to oscillations in the exchange energy between neighbouring phosphorus donor electron states in silicon \cite{Koiller02,Koiller02A}. These same effects lead to an extreme sensitivity of the exchange energy on the relative orientation of the donor atoms, an issue of crucial importance in the construction silicon-based spin quantum computers. In this article we calculate the donor electron exchange coupling as a function of donor position incorporating the full Bloch structure of the Kohn-Luttinger electron wavefunctions. It is found that due to the rapidly oscillating nature of the terms they produce, the periodic part of the Bloch functions can be safely ignored in the Heitler-London integrals as was done by Koiller et. al. [Phys. Rev. Lett. 88,027903(2002),Phys. Rev. B. 66,115201(2002)], significantly reducing the complexity of calculations. We address issues of fabrication and calculate the expected exchange coupling between neighbouring donors that have been implanted into the silicon substrate using an 15keV ion beam in the so-called 'top down' fabrication scheme for a Kane solid-state quantum computer. In addition we calculate the exchange coupling as a function of the voltage bias on control gates used to manipulate the electron wavefunctions and implement quantum logic operations in the Kane proposal, and find that these gate biases can be used to both increase and decrease the magnitude of the exchange coupling between neighbouring donor electrons. The zero-bias results reconfirm those previously obtained by Koiller.Comment: 10 Pages, 8 Figures. To appear in Physical Review

Density Fluctuation Mediated Superconductivity

We conpare predictions of the mean-field theory of supercnductivity for metallic systems on the border of a density instability for cubic and tetragonal lattices. The calculations are based on a parametrisation of an effective interaction arising from the exchange of density fluctuations and assume that a single band is relevant for superconductivity. The results show that for comparable model parameters, desnity fluctuation mediated pairing is more robust in quasi-two dimensions than in three dimensions, and that the robustness of pairing increases gradually as one goes from a cubic to a more and more anisotropic tetragonal structure. We also find that the robustness of density fluctuation mediated pairing can depend sensitively on the incipient ordering wavevector. We discuss the similarities and differences between the mean-field theories of superconductivity for density and magnetically mediated pairing

A Review of Controlling Motivational Strategies from a Self-Determination Theory Perspective: Implications for Sports Coaches

The aim of this paper is to present a preliminary taxonomy of six controlling strategies, primarily based on the parental and educational literatures, which we believe are employed by coaches in sport contexts. Research in the sport and physical education literature has primarily focused on coaches’ autonomysupportive behaviours. Surprisingly, there has been very little research on the use of controlling strategies. A brief overview of the research which delineates each proposed strategy is presented, as are examples of the potential manifestation of the behaviours associated with each strategy in the context of sports coaching. In line with self-determination theory (Deci & Ryan, 1985; Ryan & Deci, 2002), we propose that coach behaviours employed to pressure or control athletes have the potential to thwart athletes’ feelings of autonomy, competence,and relatedness, which, in turn, undermine athletes’ self-determined motivation and contribute to the development of controlled motives. When athletes feel pressured to behave in a certain way, a variety of negative consequences are expected to ensue which are to the detriment of the athletes’ well-being. The purpose of this paper is to raise awareness and interest in the darker side of sport participation and to offer suggestions for future research in this area

A quantum Monte Carlo study of the one-dimensional ionic Hubbard model

Quantum Monte Carlo methods are used to study a quantum phase transition in a 1D Hubbard model with a staggered ionic potential (D). Using recently formulated methods, the electronic polarization and localization are determined directly from the correlated ground state wavefunction and compared to results of previous work using exact diagonalization and Hartree-Fock. We find that the model undergoes a thermodynamic transition from a band insulator (BI) to a broken-symmetry bond ordered (BO) phase as the ratio of U/D is increased. Since it is known that at D = 0 the usual Hubbard model is a Mott insulator (MI) with no long-range order, we have searched for a second transition to this state by (i) increasing U at fixed ionic potential (D) and (ii) decreasing D at fixed U. We find no transition from the BO to MI state, and we propose that the MI state in 1D is unstable to bond ordering under the addition of any finite ionic potential. In real 1D systems the symmetric MI phase is never stable and the transition is from a symmetric BI phase to a dimerized BO phase, with a metallic point at the transition

BAs and boride III-V alloys

Boron arsenide, the typically-ignored member of the III-V arsenide series BAs-AlAs-GaAs-InAs is found to resemble silicon electronically: its Gamma conduction band minimum is p-like (Gamma_15), not s-like (Gamma_1c), it has an X_1c-like indirect band gap, and its bond charge is distributed almost equally on the two atoms in the unit cell, exhibiting nearly perfect covalency. The reasons for these are tracked down to the anomalously low atomic p orbital energy in the boron and to the unusually strong s-s repulsion in BAs relative to most other III-V compounds. We find unexpected valence band offsets of BAs with respect to GaAs and AlAs. The valence band maximum (VBM) of BAs is significantly higher than that of AlAs, despite the much smaller bond length of BAs, and the VBM of GaAs is only slightly higher than in BAs. These effects result from the unusually strong mixing of the cation and anion states at the VBM. For the BAs-GaAs alloys, we find (i) a relatively small (~3.5 eV) and composition-independent band gap bowing. This means that while addition of small amounts of nitrogen to GaAs lowers the gap, addition of small amounts of boron to GaAs raises the gap (ii) boron ``semi-localized'' states in the conduction band (similar to those in GaN-GaAs alloys), and (iii) bulk mixing enthalpies which are smaller than in GaN-GaAs alloys. The unique features of boride III-V alloys offer new opportunities in band gap engineering.Comment: 18 pages, 14 figures, 6 tables, 61 references. Accepted for publication in Phys. Rev. B. Scheduled to appear Oct. 15 200

Dynamical properties of liquid Al near melting. An orbital-free molecular dynamics study

The static and dynamic structure of liquid Al is studied using the orbital free ab-initio molecular dynamics method. Two thermodynamic states along the coexistence line are considered, namely T = 943 K and 1323 K for which X-ray and neutron scattering data are available. A new kinetic energy functional, which fulfills a number of physically relevant conditions is employed, along with a local first principles pseudopotential. In addition to a comparison with experiment, we also compare our ab-initio results with those obtained from conventional molecular dynamics simulations using effective interionic pair potentials derived from second order pseudopotential perturbation theory.Comment: 15 pages, 12 figures, 2 tables, submitted to PR