Pressure-induced enhancement of superconductivity and superconducting-superconducting transition in CaC_6\_6

We measured the electrical resistivity, $\varrho(T)$, of superconducting CaC$\_6$ at ambient and high pressure up to 16 GPa. For $P \leq$8 GPa, we found a large increase of $T\_c$ with pressure from 11.5 up to 15.1 K. At 8 GPa, $T\_c$ drops and levels off at 5 K above 10 GPa. Correspondingly, the residual $\varrho$ increases by $\approx$ 200 times and the $\varrho(T)$ behavior becomes flat. The recovery of the pristine behavior after depressurization is suggestive of a phase transition at 8 GPa between two superconducting phases with good and bad metallic properties, the latter with a lower $T\_c$ and more static disorder

Structural distortions and model Hamiltonian parameters: from LSDA to a tight-binding description of LaMnO_3

The physics of manganites is often described within an effective two-band tight-binding (TB) model for the Mn e_g electrons, which apart from the kinetic energy includes also a local "Hund's rule" coupling to the t_{2g} core spin and a local coupling to the Jahn-Teller (JT) distortion of the oxygen octahedra. We test the validity of this model by comparing the energy dispersion calculated for the TB model with the full Kohn-Sham band-structure calculated within the local spin-density approximation (LSDA) to density functional theory. We analyze the effect of magnetic order, JT distortions, and "GdFeO_3-type" tilt-rotations of the oxygen octahedra. We show that the hopping amplitudes are independent of magnetic order and JT distortions, and that both effects can be described with a consistent set of model parameters if hopping between both nearest and next-nearest neighbors is taken into account. We determine a full set of model parameters from the density functional theory calculations, and we show that both JT distortions and Hund's rule coupling are required to obtain an insulating ground state within LSDA. Furthermore, our calculations show that the "GdFeO_3-type" rotations of the oxygen octahedra lead to a substantial reduction of the hopping amplitudes but to no significant deviation from the simple TB model.Comment: replaced with final (published) version with improved presentatio

Unquenched large orbital magnetic moment in NiO

Magnetic properties of NiO are investigated by incorporating the spin-orbit interaction in the LSDA+U scheme. It is found that the large part of orbital moment remains unquenched in NiO. The orbital moment contributes about mu_L = 0.29 mu_B to the total magnetic moment of M = 1.93 mu_B, as leads to the orbital-to-spin angular momentum ratio of L/S = 0.36. The theoretical values are in good agreement with recent magnetic X-ray scattering measurements.Comment: 4 pages, 2 figure

Pressure induced transition from a spin glass to an itinerant ferromagnet in half doped manganite Ln0.5Ba0.5MnO3 (Ln=Sm and Nd) with quenched disorder

The effect of quenched disorder on the multiphase competition has been investigated by examining the pressure phase diagram of half doped manganite Ln0.5B0.5MnO3 (Ln = Sm and Nd) with A-site disorders. Sm0.5Ba0.5MnO3, a spin glass insulator at ambient pressure, switches to a ferromagnetic metal with increasing pressure, followed by a rapid increase of the ferromagnetic transition temperature Tc. The rapid increase of Tc was confirmed also for Nd0.5Ba0.5MnO3. These observations indicate that the unusual suppression of the multicritical phase boundary in the A-site disordered system, previously observed as a function of the averaged A-site ionic radius, is essentially controlled by the pressure and hence the band width. The effect of quenched disorder is therefore much enhanced with approaching the multicritical region.Comment: 4 pages including 3 figure

Electronic Structure, Local Moments and Transport in Fe_2VAl

Local spin density approximation calculations are used to elucidate electronic and magnetic properties of Heusler structure Fe_2VAl. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets derived from a triply degenerate Fe derived state at Gamma compensated by an V derived electron pocket at the X point. The ideal compound is found to be stable against ferromagnetism. Fe impurities on V sites, however, behave as local moments. Because of the separation of the hole and electron pockets the RKKY interaction between such local moments should be rapidly oscillating on the scale of its decay, leading to the likelihood of spin-glass behavior for moderate concentrations of Fe on V sites. These features are discussed in relation to experimental observations of an unusual insulating state in this compound.Comment: 16 pages, RevTeX, 5 figure

The Magnetic Phase Diagram and the Pressure and Field Dependence of the Fermi Surface in UGe2_2

The ac susceptibility and de Haas-van Alphen (dHvA) effect in UGe$_2$ are measured at pressures {\it P} up to 17.7 kbar for the magnetic field {\it B} parallel to the {\it a} axis, which is the easy axis of magnetization. Two anomalies are observed at {\it B$_x$}({\it P}) and {\it B}$_m$({\it P}) ({\it B$_x$} $>$ {\it B}$_m$ at any {\it P}), and the {\it P}-{\it B} phase diagram is presented. The Fermi surface and quasiparticle mass are found to vary smoothly with pressure up to 17.7 kbar unless the phase boundary {\it B$_x$}({\it P}) is crossed. The observed dHvA frequencies may be grouped into three according to their pressure dependences, which are largely positive, nearly constant or negative. It is suggested that the quasiparticle mass moderately increases as the boundary {\it B$_x$}({\it P}) is approached. DHvA effect measurements are also performed across the boundary at 16.8 kbar.Comment: to be published in Phys. Rev.