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

Ab Initio Theory of Gate Induced Gaps in Graphene Bilayers

We study the gate voltage induced gap that occurs in graphene bilayers using \textit{ab initio} density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We discuss enhanced screening of the external interlayer potential at small gate voltages, which is more pronounced in the \textit{ab initio} calculations, and quantify the role of crystalline inhomogeneity using a tight-binding model self-consistent Hartree calculation.Comment: 7 pages, 7 figures; the effect of r3 coupling included; typo correcte

Electronic structures of doped anatase TiO2\rm TiO_{2}: Ti1−xMxO2\rm Ti_{1-x}M_{x}O_{2} (M=Co, Mn, Fe, Ni)

We have investigated electronic structures of a room temperature diluted magnetic semiconductor : Co-doped anatase $\rm TiO_{2}$. We have obtained the half-metallic ground state in the local-spin-density approximation(LSDA) but the insulating ground state in the LSDA+$U$+SO incorporating the spin-orbit interaction. In the stoichiometric case, the low spin state of Co is realized with the substantially large orbital moment. However, in the presence of oxygen vacancies near Co, the spin state of Co becomes intermediate. The ferromagnetisms in the metallic and insulating phases are accounted for by the double-exchange-like and the superexchange mechanism, respectively. Further, the magnetic ground states are obtained for Mn and Fe doped $\rm TiO_{2}$, while the paramagnetic ground state for Ni-doped $\rm TiO_{2}$.Comment: 5 pages, 4 figure

Scheme for sharing classical information via tripartite entangled states

We investigate schemes for quantum secret sharing and quantum dense coding via tripartite entangled states. We present a scheme for sharing classical information via entanglement swapping using two tripartite entangled GHZ states. In order to throw light upon the security affairs of the quantum dense coding protocol, we also suggest a secure quantum dense coding scheme via W state in analogy with the theory of sharing information among involved users.Comment: 4 pages, no figure. A complete rewrritten vession, accepted for publication in Chinese Physic

Resistive evolution of the magnetized Kelvin-Helmholtz instability

It is found from the resistive MHD simulation that the most effective momentum transport due to Kelvin-Helmholtz instability is obtained in the small range of magnetic-field intensity when the highly sheared field lines undergo magnetic reconnection in the late stage of the evolution

Effects of Dissipation on Quantum Phase Slippage in Charge Density Wave Systems

We study the effect of the dissipation on the quantum phase slippage via the creation of ``vortex ring'' in charge density wave (CDW) systems. The dissipation is assumed to come from the interaction with the normal electron near and inside of the vortex core. We describe the CDW by extracted macroscopic degrees of freedom, that is, the CDW phase and the radius of the ``vortex ring'', assume the ohmic dissipation, and investigate the effect in the context of semiclassical approximation. The obtained results are discussed in comparison with experiments. It turns out that the effect of such a dissipation can be neglected in experiments.Comment: 9 pages (revtex), 2 figures, using epsf.st