Orbital ordering in La0.5_{0.5}Sr1.5_{1.5}MnO4_4 studied by model Hartree-Fock calculation

We have investigated orbital ordering in the half-doped manganite La$_{0.5}$Sr$_{1.5}$MnO$_4$, which displays spin, charge and orbital ordering, by means of unrestricted Hartree-Fock calculations on the multiband $p$-$d$ model. From recent experiment, it has become clear that La$_{0.5}$Sr$_{1.5}$MnO$_4$ exhibits a cross-type $(z^2-x^2/y^2-z^2)$ orbital ordering rather than the widely believed rod-type $(3x^2-r^2/3y^2-r^2)$ orbital ordering. The calculation reveals that cross-type $(z^2-x^2/y^2-z^2)$ orbital ordering results from an effect of in-plane distortion as well as from the relatively long out-of-plane Mn-O distance. For the "Mn$^{4+}$" site, it is shown that the elongation along the c-axis of the MnO$_6$ octahedra leads to an anisotropic charge distribution rather than the isotropic one.Comment: 4 pages, 5 figure

Stranded investment associated with rapid energy system changes under the mid-century strategy in Japan

Japan’s mid-century strategy to reduce greenhouse gas (GHG) emissions by 80% by 2050 requires rapid energy system changes, which may lead to stranded assets in fossil fuel-related infrastructure. Existing studies have shown that massive stranding of assets in the energy supply side is possible; few studies have involved economy-wide stranded asset analysis. In this study, we estimated stranded investments in both the energy supply and demand sectors in Japan in the context of near-term goals for 2030 and the mid-century strategy. To this end, multiple emission scenarios for Japan were assessed based on various emission reduction targets for 2030 and 2050. The results show that stranded investments in the energy supply sectors occur mainly in coal power plants without carbon capture and storage (CCS), especially in scenarios without enhanced near-term mitigation targets. Increases of stranded investment in demand sectors were observed primarily under stringent mitigation scenarios, which exceed the 80% reduction target. In particular, investment for oil and gas heating systems in the buildings sector may be stranded at levels up to $20 billion US between 2021 and 2050. We further simulated a scenario incorporating a subsidy for devices that do not use fossil fuels as a sector-specific policy; this reduced the amount of stranded investment in the buildings sector. We confirmed the benefit of enhancing near-term mitigation targets to avoid generating stranded investments. These findings support the importance of inclusive energy and climate policy design involving not only pricing of carbon emissions but also complementary cross-sector economy-wide policies

Phase Change Observed in Ultrathin Ba0.5Sr0.5TiO3 Films by in-situ Resonant Photoemission Spectroscopy

Epitaxial Ba0.5Sr0.5TiO3 thin films were prepared on Nb-doped SrTiO3 (100)substrates by the pulsed laser deposition technique, and were studied by measuring the Ti 2p - 3d resonant photoemission spectra in the valence-band region as a function of film thickness, both at room temperature and low temperature. Our results demonstrated an abrupt variation in the spectral structures between 2.8 nm (~7 monolayers) and 2.0 nm (~5 monolayers) Ba0.5Sr0.5TiO3 films, suggesting that there exists a critical thickness for phase change in the range of 2.0 nm to 2.8 nm. This may be ascribed mainly to the intrinsic size effects.Comment: 13 pages, 4 figure

Chemical potential shift induced by double-exchange and polaronic effects in Nd_{1-x}Sr_xMnO_3

We have studied the chemical potential shift as a function of temperature in Nd$_{1-x}$Sr$_x$MnO$_3$ (NSMO) by measurements of core-level photoemission spectra. For ferromagnetic samples ($x=0.4$ and 0.45), we observed an unusually large upward chemical potential shift with decreasing temperature in the low-temperature region of the ferromagnetic metallic (FM) phase. This can be explained by the double-exchange (DE) mechanism if the $e_g$ band is split by dynamical/local Jahn-Teller effect. The shift was suppressed near the Curie temperature ($T_C$), which we attribute to the crossover from the DE to lattice-polaron regimes.Comment: 5 pages, 6 figure

Synthesis and properties of bis(1,3-benzodithiole)-type redox systems containing a xylyl rotator unit: A new type of redox-responsive molecular rotor

A new type of redox-responsive molecular rotors (3(2+)/4) possessing a xylyl rotator unit have been designed and synthesized. Reduction of 3(2+) with zinc gave the corresponding cyclization products (4), from which dications (3 2,) were regenerated upon oxidation. Cyclic voltammetry also showed the interconversion between 3(2+) and 4. Variable-temperature (1)H NMR measurements revealed that the rotational barriers of the xylyl units in the neutral states (4) are higher than those in the dication states (3(2+)).ArticleHETEROCYCLES. 74: 251-257 (2007)journal articl