Phase transition between d-wave and anisotropic s-wave gaps in high temperature oxides superconductors

We study models for superconductivity with two interactions: $V^>$ due to antiferromagnetic(AF) fluctuations and $V^<$ due to phonons, in a weak coupling approach to the high temperature superconductivity. The nature of the two interactions are considerably different; $V^>$ is positive and sharply peaked at ($\pm\pi$,$\pm\pi$) while $V^<$ is negative and peaked at ($0,0$) due to weak phonon screening. We numerically find (a) weak BCS attraction is enough to have high critical temperature if a van Hove anomaly is at work, (b) $V^>$ (AF) is important to give d-wave superconductivity, (c) the gap order parameter $\Delta({\bf k})$ is constant(s-wave) at extremely overdope region and it changes to anisotropic s-wave as doping is reduced, (d) there exists a first order phase transition between d-wave and anisotropic s-wave gaps. These results are qualitatively in agreement with preceding works; they should be modified in the strongly underdope region by the presence of antiferromagnetic fluctuations and ensuing AF pseudogap.Comment: 4 pages in RevTex (double column), 4 figure

Spin-dependent electronic structure of transition-metal atomic chains adsorbed on single-wall carbon nanotubes

We present a systematic study of the electronic and magnetic properties of transition-metal (TM) atomic chains adsorbed on the zigzag single-wall carbon nanotubes (SWNTs). We considered the adsorption on the external and internal wall of SWNT and examined the effect of the TM coverage and geometry on the binding energy and the spin polarization at the Fermi level. All those adsorbed chains studied have ferromagnetic ground state, but only their specific types and geometries demonstrated high spin polarization near the Fermi level. Their magnetic moment and binding energy in the ground state display interesting variation with the number of $d-$electrons of the TM atom. We also show that specific chains of transition metal atoms adsorbed on a SWNT can lead to semiconducting properties for the minority spin-bands, but semimetallic for the majority spin-bands. Spin-polarization is maintained even when the underlying SWNT is subjected to high radial strain. Spin-dependent electronic structure becomes discretized when TM atoms are adsorbed on finite segments of SWNTs. Once coupled with non-magnetic metal electrodes, these magnetic needles or nanomagnets can perform as spin-dependent resonant tunnelling devices. The electronic and magnetic properties of these nanomagnets can be engineered depending on the type and decoration of adsorbed TM atom as well as the size and symmetry of the tube. Our study is performed by using first-principles pseudopotential plane wave method within spin-polarized Density Functional Method.Comment: 8 pages, 6 figures, without proof readin

Melting properties of a simple tight-binding model of transition metals: I.The region of half-filled d-band

We present calculations of the free energy, and hence the melting properties, of a simple tight-binding model for transition metals in the region of d-band filling near the middle of a d-series, the parameters of the model being designed to mimic molybdenum. The melting properties are calculated for pressures ranging from ambient to several Mbar. The model is intended to be the simplest possible tight-binding representation of the two basic parts of the energy: first, the pairwise repulsion due to Fermi exclusion; and second, the d-band bonding energy described in terms of an electronic density of states that depends on structure. In addition to the number of d-electrons, the model contains four parameters, which are adjusted to fit the pressure dependent d-band width and the zero-temperature pressure-volume relation of Mo. We show that the resulting model reproduces well the phonon dispersion relations of Mo in the body-centred-cubic structure, as well as the radial distribution function of the high-temperature solid and liquid given by earlier first-principles simulations. Our free-energy calculations start from the free energy of the liquid and solid phases of the purely repulsive pair-potential model, without d-band bonding. The free energy of the full tight-binding model is obtained from this by thermodynamic integration. The resulting melting properties of the model are quite close to those given by earlier first-principles work on Mo. An interpretation of these melting properties is provided by showing how they are related to those of the purely repulsive model.Comment: 34 pages, 12 figures. Accepted for publication in Journal of Chemical Physic

Enhancement of superconductive critical temperatures in almost empty or full bands in two dimensions: possible relevance to beta-HfNCl, C60 and MgB2

We examine possibility of enhancement of superconductive critical temperature in two-dimensions. The weak coupling BCS theory is applied, especially when the Fermi level is near the edges of the electronic bands. The attractive interaction depends on ${\bf k}$ due to screening. The density of states(DOS) does not have a peak near the bottom of the band, but $k$-dependent contribution to DOS (electron density on the Fermi surface) has a diverging peak at the bottom or top. These features lead to significant enhancement of the critical temperatures. The results are qualitatively consistent with the superconductive behaviors of HfNCl (\Tc \le 25K) and ZrNCl(\Tc \le 15K), C$_{60}$ with a field-effect transistor configuration (\Tc = 52K), and MgB$_2$ (\Tc \approx 40K) which have the unexpectedly high superconductive critical transition temperatures.Comment: 5 pages,4 figure

Electronic transport in AlMn(Si) and AlCuFe quasicrystals: Break-down of the semiclassical model

The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of fundamental interest. It appears that in quasicrystals and related complex metallic alloys, a new type of break-down of this theory operates. This phenomenon is related to the specific propagation of electrons. We develop a theory of quantum transport that applies to a normal ballistic law but also to these specific diffusion laws. As we show phenomenological models based on this theory describe correctly the anomalous conductivity in quasicrystals. Ab-initio calculations performed on approximants confirm also the validity of this anomalous quantum diffusion scheme. This provides us with an ab-initio model of transport in approximants such as alpha-AlMnSi and AlCuFe 1/1 cubic approximant.Comment: 11 pages, 5 figure

The Coulomb impurity problem in graphene

We address the problem of an unscreened Coulomb charge in graphene, and calculate the local density of states and displaced charge as a function of energy and distance from the impurity. This is done non-perturbatively in two different ways: (1) solving the problem exactly by studying numerically the tight-binding model on the lattice; (2) using the continuum description in terms of the 2D Dirac equation. We show that the Dirac equation, when properly regularized, provides a qualitative and quantitative low energy description of the problem. The lattice solution shows extra features that cannot be described by the Dirac equation, namely bound state formation and strong renormalization of the van Hove singularities.Comment: 3 Figures; minor typo corrections and minor update in Fig. 3