Related papers: Structural Distortion and Disappearance of Layer O…
We report the first 17-O NMR studies of a triangular-lattice superconductor Na{1/3}CoO{2}-[4/3]H{2}O and the host material Na{x}CoO{2} (x=0.35 and 0.72). Knight shift measurements reveal that p-d hybridization induces sizable spin…
Since the discovery of charge disproportionation in the FeO$_2$ square-lattice compound Sr$_3$Fe$_2$O$_7$ by M\"ossbauer spectroscopy more than fifty years ago, the spatial ordering pattern of the disproportionated charges has remained…
We report on the observation of rich variety of crystallographic phase formation in RexMo1-xS2 alloy for x < 0.5. For x < 0.23, no low dimensional super-structural modulation is observed and inter-cation hybridization remains discrete…
In a combination of neutron and synchrotron diffraction the lattice constants and expansivities of hydrogenated and deuterated CH4-, CO2-, Xe- (structure type I) and N2-hydrate (structure type II) from 10 K up to the stability limit under…
We report on the preparation and characterization of single crystal gamma phase NaxCoO2 with 0.25 < x < 0.84 using a non-aqueous electrochemical chronoamperemetry technique. By carefully mapping the overpotential versus x (for x < 0.84), we…
Superconducting [(Li(1-x)Fex)OH](Fe(1-y)Liy)Se (x ~ 0.2, y ~ 0.08) was synthesized by hydrothermal methods and structurally characterized by single crystal X-ray diffraction. The crystal structure contains anti-PbO type (Fe(1-y)Liy)Se…
We used quantum chemical ab initio methods to determine the effective parameters of Hubbard and $t-J$ models for the $\rm Na_{x}CoO_2$ compounds (x=0 and 0.5). As for the superconducting compound we found the $a_{1g}$ cobalt orbitals above…
SrCo2As2 is a peculiar itinerant magnetic system that does not order magnetically, but inelastic neutron scattering experiments observe the same stripe-type antiferromagnetic (AF) fluctuations found in many of the Fe-based superconductors…
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…
The sodium cobaltate family (NaxCoO2) is unique among transition metal oxides because the Co sits on a triangular lattice and its valence can be tuned over a wide range by varying the Na concentration x. Up to now detailed modeling of the…
The cuprate superconductors exhibit ubiquitous instabilities toward charge-ordered states. These unusual electronic states break the spatial symmetries of the host crystal, and have been widely appreciated as essential ingredients for…
Compositionally tunable vanadium oxyhydrides Sr2VO4-xHx (x = 0 - 1) without considerable anion vacancy were synthesized by high-pressure solid state reaction. The crystal structures and their properties were characterized by powder neutron…
The local structure and oxidation state of the cobalt impurity in SrTiO$_3$ is studied by X-ray absorption fine structure (XAFS) spectroscopy. The synthesis conditions, under which cobalt predominantly (up to 76%) substitutes the atoms at…
The incidence of topology on the band structure and physical properties of layered compounds has been extensively studied in semimetals. How those evolve in presence of electronic correlations has been less investigated so far. In the…
Muon spin relaxation ($\mu$SR) measurements on the new layered cobalt oxide superconductor Na$_{0.35}$CoO$_{2}\cdot$1.3H$_{2}$O and its parent, non-superconducting compounds, have revealed unconventional nature of superconductivity through:…
The degradation mechanism in a sodium cell of a layered Na0.48Al0.03Co0.18Ni0.18Mn0.47O2 (NCAM) cathode with P3/P2 structure is investigated by revealing the changes in microstructure and composition upon cycling. The work aims to…
Disordered rocksalt Li-excess (DRX) compounds have emerged as promising new cathode materials for lithium-ion batteries, as they can consist solely of resource-abundant metals and eliminate the need for cobalt or nickel. A deeper…
We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…
Solid solutions of SiO2 and B2O3 in Li2O 2SiO2 are synthesized and characterized for the first time. Their structure and crystallization mechanisms are investigated employing a combination of simulations at the density functional theory…
A weak magnetic order was found in a non-superconducting bilayered-hydrate Na$_{x}$CoO$_{2}\cdot y$H$_{2}$O sample by a Co Nuclear Quadrupole Resonance (NQR) measurement. The nuclear spin-lattice relaxation rate divided by temperature…