Electronic structures of antiperovskite superconductors: MgXNi3_3 (X=B,C,N)

We have investigated electronic structures of a newly discovered antiperovskite superconductor MgCNi$_3$ and related compounds MgBNi$_3$ and MgNNi$_3$. In MgCNi$_3$, a peak of very narrow and high density of states is located just below $\rm E_F$, which corresponds to the $\pi^*$ antibonding state of Ni-3d and C-$2p$ but with the predominant Ni-3d character. The prominent nesting feature is observed in the $\Gamma$-centered electron Fermi surface of an octahedron-cage-like shape that originates from the 19th band. The estimated superconducting parameters based on the simple rigid-ion approximation are in reasonable agreement with experiment, suggesting that the superconductivity in MgCNi$_3$ is described well by the conventional phonon mechanism.Comment: 5 pages, 5 figure

Electronic Structures of Antiperovskite Superconductor MgCNi3_3 and Related Compounds

Electronic structure of a newly discovered antiperovskite superconductor MgCNi$_3$ is investigated by using the LMTO band method. The main contribution to the density of states (DOS) at the Fermi energy $E_{\rm F}$ comes from Ni 3$d$ states which are hybridized with C 2$p$ states. The DOS at $E_{\rm F}$ is varied substantially by the hole or electron doping due to the very high and narrow DOS peak located just below $E_{\rm F}$. We have also explored electronic structures of C-site and Mg-site doped MgCNi$_3$ systems, and described the superconductivity in terms of the conventional phonon mechanism.Comment: 3 pages, presented at ORBITAL2001 September 11-14, 2001 (Sendai, JAPAN

Electronic structure of metallic antiperovskite compound GaCMn3_3

We have investigated electronic structures of antiperovskite GaCMn$_3$ and related Mn compounds SnCMn$_3$, ZnCMn$_3$, and ZnNMn$_3$. In the paramagnetic state of GaCMn$_3$, the Fermi surface nesting feature along the $\Gamma{\rm R}$ direction is observed, which induces the antiferromagnetic (AFM) spin ordering with the nesting vector {\bf Q} $\sim \Gamma{\rm R}$. Calculated susceptibilities confirm the nesting scenario for GaCMn$_3$ and also explain various magnetic structures of other antiperovskite compounds. Through the band folding effect, the AFM phase of GaCMn$_3$ is stabilized. Nearly equal densities of states at the Fermi level in the ferromagnetic and AFM phases of GaCMn$_3$ indicate that two phases are competing in the ground state.Comment: 4 pages, 5 figure

Large anisotropy in the optical conductivity of YNi2B2C

The optical properties of YNi$_2$B$_2$C are studied by using the first-principles full-potential linearized augmented plane wave (FLAPW) method within the local density approximation. Anisotropic behavior is obtained in the optical conductivity, even though the electronic structure shows 3D character. A large peak in $\sigma_z$ is obtained at 2.4 eV. The anisotropic optical properties are analyzed in terms of interband transitions between energy levels and found that the Ni site plays an important role. The electronic energy loss spectroscopy (EELS) spectra are also calculated to help elucidate the anisotropic properties in this system.Comment: revtex4, 4 pages, 5 figures, to appear in PR

Superspace Formulation in a Three-Algebra Approach to D=3, N=4,5 Superconformal Chern-Simons Matter Theories

We present a superspace formulation of the D=3, N=4,5 superconformal Chern-Simons Matter theories, with matter supermultiplets valued in a symplectic 3-algebra. We first construct an N=1 superconformal action, and then generalize a method used by Gaitto and Witten to enhance the supersymmetry from N=1 to N=5. By decomposing the N=5 supermultiplets and the symplectic 3-algebra properly and proposing a new super-potential term, we construct the N=4 superconformal Chern-Simons matter theories in terms of two sets of generators of a (quaternion) symplectic 3-algebra. The N=4 theories can also be derived by requiring that the supersymmetry transformations are closed on-shell. The relationship between the 3-algebras, Lie superalgebras, Lie algebras and embedding tensors (proposed in [E. A. Bergshoeff, O. Hohm, D. Roest, H. Samtleben, and E. Sezgin, J. High Energy Phys. 09 (2008) 101.]) is also clarified. The general N=4,5 superconformal Chern-Simons matter theories in terms of ordinary Lie algebras can be rederived in our 3-algebra approach. All known N=4,5 superconformal Chern-Simons matter theories can be recovered in the present superspace formulation for super-Lie-algebra realization of symplectic 3-algebras.Comment: 37 pages, minor changes, published in PR