相关论文: Chemical Differences between K and Na in Alkali Co…
We have used electron and neutron powder diffraction to elucidate the structural properties of superconducting \NaD. Our measurements show that our superconducting sample exhbits a number of supercells ranging from ${1/3}a^{*}$ to…
Nodal-line superconductor NaAlSi with a transition temperature ($T_c$) of 7 K has attracted considerable attention in recent years, whereas its Ge counterpart, NaAlGe, does not superconduct down to the lowest temperature regardless of their…
Despite similarities in formulae and local structures of Zr2CoH5 and Mg2CoH5, they are shown from ab initio calculations to present contrasted electronic, magnetic, mechanical and bonding properties due to the environment of cobalt with…
The nonstoichiometric NaxCoO2 system exhibits extraordinary physical properties that correlate with temperature and Na concentration in its layered lattice without evident long-range structure modification when conventional crystallographic…
Powder Na$_{x}$CoO$_{2}$ ($0.70\leq x\leq 0.84$) samples were synthesized and characterized carefully by X-ray diffraction analysis, inductive-coupled plasma atomic emission spectroscopy, and redox titration. It was proved that…
We have grown single crystals of Na$_x$Ca$_y$CoO$_2$ and determined their superstructures as a function of composition using neutron and x-ray diffraction. Inclusion of Ca$^{2+}$ stabilises a single superstructure across a wide range of…
Layered CoO$_2$ is of great interest for its promising properties but is meta-stable in its bulk form. CoO$_2$ was synthesized by converting the quasi-one-dimensional crystal structure of bulk Ca$_3$Co$_2$O$_6$ via a hydrothermal treatment.…
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…
$Na_xCoO_2$ that comprises of alternating Na and $CoO_2$ layers has exotic magnetic and thermoelectric properties that could favorably be manipulated by adding dopants or varying Na concentration. In this work, we investigated the…
The specific heats of three samples of Na0.35CoO2,1.3H2O show an evolution of the superconductivity, and its ultimate disappearance, with increasing sample age. An overall increase in pair-breaking action, which occurs preferentially in an…
Several thermodynamic measurements for the cobaltate superconductor, NaxCoO2.yH2O, have so far provided results inconsistent with each other. In order to solve the discrepancies, we microscopically calculate the temperature dependences of…
Using first-principles electronic structure calculations, we have extensively studied the electronic and magnetic properties of alkali sodium superoxide (NaO2) in comparison with that of potassium superoxide (KO2) both at high and low…
Synchrotron X-ray diffraction investigations of two single crystals of Na_xCoO_2 from different batches with composition x = 0.525-0.530 reveal homogeneous incommensurate sodium ordering with propagation vector (0.53 0.53 0) at…
The ordering of Na ions in Na$_x$CoO$_2$ is investigated systematically by combining detailed density functional theory (DFT) studies with model calculations. Various ground state ordering patterns are identified, and they are in excellent…
The electronic structure of Na$_x$CoO$_2$ revealed by recent photoemission experiments shows important deviations from band theory predictions. The six small Fermi surface pockets predicted by LDA calculations have not been observed as the…
Neutron and x-ray powder diffraction have been used to investigate the crystal structures of a sample of the newly-discovered superconducting sodium cobaltate deuterate compound with composition Na0.31(3)CoO2o1.25(2)D2O and its anhydrous…
We present our NMR studies of double-layer hydrated cobalt oxides NaxCoO2-yH2O (x ~ 0.35, y ~ 1.3) with various Tc = 0 - 4.8 K and magnetic transition temperatures. High-resolution $^{1}$H NMR spectrum served as an evidence for the…
NaAlSi and NaAlGe are isostructural and isoelectronic semimetals with topological nodal lines close to the Fermi level. Despite having virtually identical electronic structures, NaAlSi exhibits superconductivity below Tc = 6.8 K, whereas…
To shed new light on the mechanism of superconductivity in sodium cobalt oxide bilayer-hydrate (BLH), we perform a density functional calculation with full structure optimization for BLH and its related nonsuperconducting phase, monolayer…
A combined theoretical and experimental study of the natural Cu(2+)-mineral callaghanite is presented. Its crystal structure features well separated Cu$_2$(OH)$_6$ structural dimers with weakly bonded carbonate groups and water molecules in…