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 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 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

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

Anomalous double peak structure in Nb/Ni superconductor/ferromagnet tunneling DOS

We have experimentally investigated the density of states (DOS) in Nb/Ni (S/F) bilayers as a function of Ni thickness, $d_F$. Our thinnest samples show the usual DOS peak at $\pm\Delta_0$, whereas intermediate-thickness samples have an anomalous ``double-peak'' structure. For thicker samples ($d_F \geq 3.5$ nm), we see an ``inverted'' DOS which has previously only been reported in superconductor/weak-ferromagnet structures. We analyze the data using the self-consistent non-linear Usadel equation and find that we are able to quantitatively fit the features at $\pm\Delta_0$ if we include a large amount of spin-orbit scattering in the model. Interestingly, we are unable to reproduce the sub-gap structure through the addition of any parameter(s). Therefore, the observed anomalous sub-gap structure represents new physics beyond that contained in the present Usadel theory.Comment: 4 pages, 3 figure

Studies on the Density of Soybean Aphids in Different Cultivars, Planting Dates and Spacings

In order to evaluate the fluctuation of the soybean aphid (Aphis glycines Matsumura) population, six leading soybean cultivars were planted on five different planting dates with different plant densities. The survey of aphid population and climate condition was made from June through September in 1978. According to the differences of planting dates and plant density the soybean aphid populations were varied, and varietal response to the aphid was significantly different. Counting of aphid infestation on the top third trifoliate leaf seemed to be efficient for the estimation of soybean aphid population.Originating text in Korean.Citation: Chung, K. H., Kwon, S. H., Lee, Y. I. (1980). Studies on the Density of Soybean Aphids in Different Cultivars, Planting Dates and Spacings. Journal of the Korean Society for Crop Science, 25(3), 35-40

Half-metallic antiferromagnets in double perovskites: LaAVRuO6_6 (A=Ca, Sr, and Ba)

Based on the theoretical exploration of electronic structures, we propose that the ordered double perovskites LaAVRuO$_6$ and LaVO$_3$/ARuO$_3$ (001) superlattice (A = Ca, Sr and Ba) are strong candidates for half-metallic (HM) antiferromagnets (AFMs). %LaAVRuO$_6$ and LaVO$_3$/ARuO$_3$ have the %100% spin polarizations at the Fermi level but with zero %total magnetic moments. We have shown that the HM-AFM nature in LaAVRuO$_6$ is very robust regardless of (i) divalent ion replacement at A-sites, (ii) oxygen site relaxation, (iii) the inclusion of the Coulomb correlation, and (iv) cation disorder. A type of the double exchange interaction is expected to be responsible for the half-metallicity and the antiferromagnetism in these systems.Comment: 4 pages, 4 figure