Electronic structure and electric-field gradients analysis in CeIn3CeIn_3

Electric field gradients (EFG's) were calculated for the $CeIn_3$ compound at both $^{115}In$ and $^{140}Ce$ sites. The calculations were performed within the density functional theory (DFT) using the augmented plane waves plus local orbital (APW+lo) method employing the so-called LDA+U scheme. The $CeIn_3$ compound were treated as nonmagnetic, ferromagnetic, and antiferromagnetic cases. Our result shows that the calculated EFG's are dominated at the $^{140}Ce$ site by the Ce-4f states. An approximately linear relation is intuited between the main component of the EFG's and total density of states (DOS) at Fermi level. The EFG's from our LDA+U calculations are in better agreement with experiment than previous EFG results, where appropriate correlations had not been taken into account among 4f-electrons. Our result indicates that correlations among 4f-electrons play an important role in this compound and must be taken into account

Fermi Surface of The One-dimensional Kondo Lattice Model

We show a strong indication of the existence of a large Fermi surface in the one-dimensional Kondo lattice model. The characteristic wave vector of the model is found to be $k_F=(1+\rho )\pi /2$, $\rho$ being the density of the conduction electrons. This result is at first obtained for a variant of the model that includes an antiferromagnetic Heisenberg interaction $J_H$ between the local moments. It is then directly observed in the conventional Kondo lattice $(J_H=0)$, in the narrow range of Kondo couplings where the long distance properties of the model are numerically accessible.Comment: 11 pages, 6 figure

Magnetotransport near a quantum critical point in a simple metal

We use geometric considerations to study transport properties, such as the conductivity and Hall coefficient, near the onset of a nesting-driven spin density wave in a simple metal. In particular, motivated by recent experiments on vanadium-doped chromium, we study the variation of transport coefficients with the onset of magnetism within a mean-field treatment of a model that contains nearly nested electron and hole Fermi surfaces. We show that most transport coefficients display a leading dependence that is linear in the energy gap. The coefficient of the linear term, though, can be small. In particular, we find that the Hall conductivity $\sigma_{xy}$ is essentially unchanged, due to electron-hole compensation, as the system goes through the quantum critical point. This conclusion extends a similar observation we made earlier for the case of completely flat Fermi surfaces to the immediate vicinity of the quantum critical point where nesting is present but not perfect.Comment: 11 pages revtex, 4 figure

Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces

We present first-principles calculations of the magnetic hyperfine fields H of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the dependence of H on the coordination number by placing the impurity in the surfaces, on top of them at the adatom positions, and in the bulk. We find a strong coordination dependence of H, different and characteristic for each impurity. The behavior is explained in terms of the on-site s-p hybridization as the symmetry is reduced at the surface. Our results are in agreement with recent experimental findings.Comment: 4 pages, 3 figure

Electronic and structural properties of superconducting MgB2_2, CaSi2_2 and related compounds

We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include zone-center phonon frequencies and transport properties, are performed within the local density approximation to the density functional theory, using the full-potential linearized augmented plane wave (FLAPW) and the norm-conserving pseudopotential methods. Our results indicate essentially three-dimensional properties for these compounds; however, strongly two-dimensional $\sigma$-bonding bands contribute significantly at the Fermi level. Similarities and differences between \mgbtwo and \bebtwo (whose superconducting properties have not been yet investigated) are analyzed in detail. Our calculations for \mgalbtwo show that metal substitution cannot be fully described in a rigid band model. \casitwo is studied as a function of pressure, and Be substitution in the Si planes leads to a stable compound similar in many aspects to diborides.Comment: Revised version, Phys.Rev.B in pres

Quantized Majorana conductance

Majorana zero-modes hold great promise for topological quantum computing. Tunnelling spectroscopy in electrical transport is the primary tool to identify the presence of Majorana zero-modes, for instance as a zero-bias peak (ZBP) in differential-conductance. The Majorana ZBP-height is predicted to be quantized at the universal conductance value of 2e2/h at zero temperature. Interestingly, this quantization is a direct consequence of the famous Majorana symmetry, 'particle equals antiparticle'. The Majorana symmetry protects the quantization against disorder, interactions, and variations in the tunnel coupling. Previous experiments, however, have shown ZBPs much smaller than 2e2/h, with a recent observation of a peak-height close to 2e2/h. Here, we report a quantized conductance plateau at 2e2/h in the zero-bias conductance measured in InSb semiconductor nanowires covered with an Al superconducting shell. Our ZBP-height remains constant despite changing parameters such as the magnetic field and tunnel coupling, i.e. a quantized conductance plateau. We distinguish this quantized Majorana peak from possible non-Majorana origins, by investigating its robustness on electric and magnetic fields as well as its temperature dependence. The observation of a quantized conductance plateau strongly supports the existence of non-Abelian Majorana zero-modes in the system, consequently paving the way for future braiding experiments.Comment: 5 figure

Optical study of the band structure of wurtzite GaP nanowires

We investigated the optical properties of wurtzite (WZ) GaP nanowires by performing photoluminescence (PL) and time-resolved PL measurements in the temperature range from 4 K to 300 K, together with atom probe tomography to identify residual impurities in the nanowires. At low temperature, the WZ GaP luminescence shows donor-acceptor pair emission at 2.115 eV and 2.088 eV, and Burstein-Moss band-filling continuum between 2.180 and 2.253 eV, resulting in a direct band gap above 2.170 eV. Sharp exciton α-β-γ lines are observed at 2.140-2.164-2.252 eV, respectively, showing clear differences in lifetime, presence of phonon replicas, and temperature- dependence. The excitonic nature of those peaks is critically discussed, leading to a direct band gap o

Fermi Surface of 3d^1 Perovskite CaVO3 Near the Mott Transition

We present a detailed de Haas van Alphen effect study of the perovskite CaVO3, offering an unprecedented test of electronic structure calculations in a 3d transition metal oxide. Our experimental and calculated Fermi surfaces are in good agreement -- but only if we ignore large orthorhombic distortions of the cubic perovskite structure. Subtle discrepancies may shed light on an apparent conflict between the low energy properties of CaVO3, which are those of a simple metal, and high energy probes which reveal strong correlations that place CaVO3 on the verge of a metal-insulator transition.Comment: 4 pages, 4 figures (REVTeX