Superconductivity in Boron under pressure - why are the measured Tc_c's so low?

Using the full potential linear muffin-tin orbitals (FP-LMTO) method we examine the pressure-dependence of superconductivity in the two metallic phases of Boron: bct and fcc. Linear response calculations are carried out to examine the phonon frequencies and electron-phonon coupling for various lattice parameters, and superconducting transition temperatures are obtained from the Eliashberg equation. In both bct and fcc phases the superconducting transition temperature T$_c$ is found to decrease with increasing pressure, due to stiffening of phonons with an accompanying decrease in electron-phonon coupling. This is in contrast to a recent report, where T$_c$ is found to increase with pressure. Even more drastic is the difference between the measured T$_c$, in the range 4-11 K, and the calculated values for both bct and fcc phases, in the range 60-100 K. The calculation reveals that the transition from the fcc to bct phase, as a result of increasing volume or decreasing pressure, is caused by the softening of the X-point transverse phonons. This phonon softening also causes large electron-phonon coupling for high volumes in the fcc phase, resulting in coupling constants in excess of 2.5 and T$_c$ nearing 100 K. We discuss possible causes as to why the experiment might have revealed T$_c$'s much lower than what is suggested by the present study. The main assertion of this paper is that the possibility of high T$_c$, in excess of 50 K, in high pressure pure metallic phases of boron cannot be ruled out, thus substantiating the need for further experimental investigations of the superconducting properties of high pressure pure phases of boron.Comment: 16 pages, 8 figures, 1 Tabl

Spin systems with dimerized ground states

In view of the numerous examples in the literature it is attempted to outline a theory of Heisenberg spin systems possessing dimerized ground states (``DGS systems") which comprises all known examples. Whereas classical DGS systems can be completely characterized, it was only possible to provide necessary or sufficient conditions for the quantum case. First, for all DGS systems the interaction between the dimers must be balanced in a certain sense. Moreover, one can identify four special classes of DGS systems: (i) Uniform pyramids, (ii) systems close to isolated dimer systems, (iii) classical DGS systems, and (iv), in the case of $s=1/2$, systems of two dimers satisfying four inequalities. Geometrically, the set of all DGS systems may be visualized as a convex cone in the linear space of all exchange constants. Hence one can generate new examples of DGS systems by positive linear combinations of examples from the above four classes.Comment: With corrections of proposition 4 and other minor change

Assessing non-linear models for galaxy clustering I: unbiased growth forecasts from multipole expansion

We assess the performance of the Taruya, Nishimichi and Saito (TNS) model for the halo redshift space power spectrum, focusing on utilising mildly non-linear scales to constrain the growth rate of structure f. Using simulations with volume and number density typical of forthcoming Stage IV galaxy surveys, we determine ranges of validity for the model at redshifts z = 0.5 and z = 1. We proceed to perform a Bayesian MCMC analysis utilising the monopole, quadrupole, and hexadecapole spectra, followed by an exploratory Fisher matrix analysis. As previously noted in other forecasts as well as in real data analyses, we find that including the hexadecapole can significantly improve the constraints. However, a restricted range of scales is required for the hexadecapole in order for the growth parameter estimation to remain unbiased, limiting the improvement. We consistently quantify these effects by employing the multipole expansion formalism in both our Fisher and MCMC forecasts.Comment: 12 pages, 7 figures, 2 tables, accepted in OJ

First principles theoretical studies of half-metallic ferromagnetism in CrTe

Using full-potential linear augmented plane wave method (FP-LAPW) and the density functional theory, we have carried out a systematic investigation of the electronic, magnetic, and cohesive properties of the chalcogenide CrTe in three competing structures: rock-salt (RS), zinc blende (ZB) and the NiAs-type (NA) hexagonal. Although the ground state is of NA structure, RS and ZB are interesting in that these fcc-based structures, which can possibly be grown on many semiconductor substrates, exhibit half-metallic phases above some critical values of the lattice parameter. We find that the NA structure is not half-metallic at its equilibrium volume, while both ZB and RS structures are. The RS structure is more stable than the ZB, with an energy that is lower by 0.25 eV/atom. While confirming previous results on the half-metallic phase in ZB structure, we provide hitherto unreported results on the half-metallic RS phase, with a gap in the minority channel and a magnetic moment of 4.0 $\mu_{B}$ per formula unit. A comparison of total energies for the ferromagnetic (FM), non-magnetic (NM), and antiferromagnetic (AFM) configurations shows the lowest energy configuration to be FM for CrTe in all the three structures. The FP-LAPW calculations are supplemented by linear muffin-tin orbital (LMTO) calculations using both local density approximation (LDA) and LDA+U method. The exchange interactions and the Curie temperatures calculated via the linear response method in ZB and RS CrTe are compared over a wide range of the lattice parameter. The calculated Curie temperatures for the RS phase are consistently higher than those for the ZB phase.Comment: 11 pages, 14 figure

Nonlocal feedback in ferromagnetic resonance

Ferromagnetic resonance in thin films is analyzed under the influence of spatiotemporal feedback effects. The equation of motion for the magnetization dynamics is nonlocal in both space and time and includes isotropic, anisotropic and dipolar energy contributions as well as the conserved Gilbert- and the non-conserved Bloch-damping. We derive an analytical expression for the peak-to-peak linewidth. It consists of four separate parts originated by Gilbert damping, Bloch-damping, a mixed Gilbert-Bloch component and a contribution arising from retardation. In an intermediate frequency regime the results are comparable with the commonly used Landau-Lifshitz-Gilbert theory combined with two-magnon processes. Retardation effects together with Gilbert damping lead to a linewidth the frequency dependence of which becomes strongly nonlinear. The relevance and the applicability of our approach to ferromagnetic resonance experiments is discussed.Comment: 22 pages, 9 figure

Entanglement in a molecular three-qubit system

We study the entanglement properties of a molecular three-qubit system described by the Heisenberg spin Hamiltonian with anisotropic exchange interactions and including an external magnetic field. The system exhibits first order quantum phase transitions by tuning two parameters, $x$ and $y$, of the Hamiltonian to specific values. The three-qubit chain is open ended so that there are two types of pairwise entanglement : nearest-neighbour (n.n.) and next-nearest-neighbour (n.n.n.). We calculate the ground and thermal state concurrences, quantifying pairwise entanglement, as a function of the parameters $x$, $y$ and the temperature $T$. The entanglement threshold and gap temperatures are also determined as a function of the anisotropy parameter $x$. The results obtained are of relevance in understanding the entanglement features of the recently engineered molecular $Cr_{7}Ni$-$Cu^{2+}$-$Cr_{7}Ni$ complex which serves as a three-qubit system at sufficiently low temperatures.Comment: 9 pages, 13 figures, revtex

Momentum-resolved electron-phonon interaction in lead determined by neutron resonance spin-echo spectroscopy

Neutron resonance spin-echo spectroscopy was used to monitor the temperature evolution of the linewidths of transverse acoustic phonons in lead across the superconducting transition temperature, $T_c$, over an extended range of the Brillouin zone. For phonons with energies below the superconducting energy gap, a linewidth reduction of maximum amplitude $\sim 6 \mu$eV was observed below $T_c$. The electron-phonon contribution to the phonon lifetime extracted from these data is in satisfactory overall agreement with {\it ab-initio} lattice-dynamical calculations, but significant deviations are found

Assessing non-linear models for galaxy clustering II: model validation and forecasts for Stage IV surveys

Accurate modelling of non-linear scales in galaxy clustering will be crucial for data analysis of Stage IV galaxy surveys. A selection of competing non-linear models must be made based on validation studies. We provide a comprehensive set of forecasts of two different models for the halo redshift space power spectrum, namely the commonly applied TNS model and an effective field theory of large scale structure (EFTofLSS) inspired model. Using simulation data and a least-χ2 analysis, we determine ranges of validity for the models. We then conduct an exploratory Fisher analysis using the full anisotropic power spectrum to investigate parameter degeneracies. We proceed to perform an MCMC analysis utilising the monopole, quadrupole, and hexadecapole spectra, with a restricted range of scales for the latter in order to avoid biasing our growth rate, f, constraint. We find that the TNS model with a Lorentzian damping and standard Eulerian perturbative modelling outperforms other variants of the TNS model. Our MCMC analysis finds that the EFTofLSS-based model may provide tighter marginalised constraints on f at z = 0.5 and z = 1 than the TNS model, despite having additional nuisance parameters. However this depends on the range of scales used as well as the fiducial values and priors on the EFT nuisance parameters. Finally, we extend previous work to provide a consistent comparison between the Fisher matrix and MCMC forecasts using the multipole expansion formalism, and find good agreement between them