相关论文: $Ab$ $initio$ material design of Ag-based oxides f…

The highly unusual divalent silver in silver difluoride (AgF$_2$) features a nearly square lattice of Ag$^{+2}$ bridged by fluorides. As a structural and electronic analogue of cuprates, its superconducting properties are yet to be…

We report zero-resistivity transition and the details of magnetic transition of a layered silver oxide Ag$_5$Pb$_2$O$_6$ single crystal, which make definitive evidence of superconductivity in this compound. In the AC susceptibility of a…

AgF2 is a layered material and a correlated charge transfer insulator with an electronic structure very similar to the parent compounds of cuprate high-Tc superconductors. It is also interesting for being a powerful oxidizer. Here we…

Oxides with perovskite-based structures have been known as essential materials for fascinating phenomena such as high-temperature and unconventional superconductivity. Discoveries of these oxide superconductors have driven the science…

AgF2 has been proposed as a cuprate analogue which requires strong correlation and marked covalence. On the other hand, fluorides are usually quite ionic and 4d transition metals tend to be less correlated than their 3d counterparts, which…

Copper(II) silver(II) sulfate crystallizes in a monoclinic CuSO4-related structure with P21/n symmetry. This quasi-ternary compound features [Ag(SO4)2]2- layers, while the remaining cationic sites may be occupied either completely or…

KO2 exhibits concomitant antiferromagnetic (AFM) and structural transitions, both of which originate from the open-shell 2p electrons of O$_{2}^{-}$ molecules. The structural transition is accompanied by the coherent tilting of O$_{2}^{-}$…

To compare the superconductivity in strongly correlated electron systems with the antiferromagnetic fluctuations in the copper oxides and with the ferromagnetic fluctuations in Sr_2RuO_4 a t-J-I model is proposed. The antiferromagnetic…

Takada et al. have reported superconductivity in layered $Na__x CoO_2.yH_2O$ ($T_c \approx5 K$) and more recently Wen et al. in $A_xCoO_{2+\delta}$ ($A = Na,K$)(\tc$\approx~31 K$). We model a reference neutral \cob layer as an orbitally…

Superconductivity in a doped topological insulator (TI) is a very interesting phenomenon and constitute a new finding of the modern day condensed matter physics. Here we have investigated the physical and transport properties of such an…

A hypothetical layered oxide La_2NiMO_6 where NiO_2 and MO_2 planes alternate along the c-axis of ABO_3 perovskite lattice is considered theoretically. Here, M denotes a trivalent cation Al, Ga,... such that MO_2 planes are insulating and…

Using elastic neutron scattering, we evidence a commensurate antiferromagnetic Cu(2) order (AF) in the superconducting (SC) high-$\rm T_c$ cuprate $\rm YBa_2(Cu_{1-y}Co_y)_3O_{7+\delta}$ (y=0.013, $\rm T_c$=93 K). As in the Co-free system,…

LaCo2B2 with a ThCr2Si2-type structure composed of alternately stacked La and CoB layers exhibits metallic electrical conductivity and Pauli paramagnetic behavior down to 2K. Bulk superconductivity with a Tc of ~4K emerges upon substitution…

Luminescent multifunctional nanomaterials are important because of their potential impact on the development of key technologies such as smart luminescent sensors and solid-state lightings. To be technologically viable, the luminescent…

We describe a framework for designing novel materials, combining modern first-principles electronic structure tools, materials databases, and evolutionary algorithms capable of exploring large configurational spaces. Guided by the chemical…

We suggest that Cobalt-Oxychalcogenide layers constructed by vertex sharing CoA$_2$O$_2$ (A=S,Se,Te) tetrahedra, such as BaCoAO, are strongly correlated multi-orbital electron systems that can provide important clues on the cause of…

We investigate the superconductivity of a three-dimensional d-p model with a multilayer perovskite structure on the basis of the second-order perturabation theory within the weak coupling framework. Our model has been designed with…

A new layered oxypnictide (Fe2P2)(Sr4Sc2O6) have been synthesized by solid-state reaction. This material has an alternating layer stacking structure of anti-fluorite Fe2P2 and perovskite-based Sr4Sc2O6 oxide layers. Space group of the…

We investigate the antiferromagnetic insulating state of the recently discovered double perovskites Sr$_2$XOsO$_6$ (X$=$Sc, Mg) by using ab-initio calculations (based on Density Functional Theory and Dynamical Mean-Field Theory) to…

Superconductivity in a novel class of layered materials, Ti-based pnictide oxides, was recently discovered. These compounds have attracted interest since they combine features of copper oxide and iron pnictide superconductors. Here the…