相关论文: Phase Diagram of Na$_x$CoO$_2$ Studied by Gutzwill…

The phase diagram of non-hydrated Na(x)CoO(2) has been determined by changing the Na content x using a series of chemical reactions. As x increases from 0.3, the ground state goes from a paramagnetic metal to a charge-ordered insulator (at…

We report a first-principles projector augmented wave (PAW) study on Na$_{0.5}$CoO$_2$. With the sodium ion ordered insulating phase being identified in experiments, pure density functional calculations fail to predict an insulating ground…

The study of the strength of correlations in Na$_x$CoO$_2$ is extended to the x=0 end of the phase diagram where Mott insulating behavior has been widely anticipated. Inclusion of correlation as modeled by the LDA+U approach leads to a Mott…

We have synthesized and characterized the four different stable phases of Na ordered Na$_{x}$CoO$_{2}$, for $0.65<x\lesssim 0.75$. Above 100K they display similar Curie-Weiss spin susceptibilities as well as ferromagnetic $q=0$ spin…

We have synthesized and characterized four different stable phases of Na ordered Na$_{x}$CoO$_{2}$, for $0.65<x<0.8$. Above 100 K they display similar Curie-Weiss susceptibilities as well as ferromagnetic $q=0$ spin fluctuations in the…

Puzzling properties of sodium cobaltates Na${}_x$CoO${}_2$ become an issue of numerous recent theoretical and experimental investigations because of very high thermopower and intricate phase diagram of this material. Experiments indicated…

Band structure of metallic sodium cobaltate Na$_x$CoO$_2$ ($x$=0.33, 0.48, 0.61 0.72) has been investigated by local density approximation+Hubbard $U$ (LDA+$U$) method and within Gutzwiller approximation for the Co-$t_{2g}$ manifold.…

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…

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 use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle bands of LaOFeAs. The Fe3d--As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band…

Doping evolution of the Fermi surface topology of Na$_x$CoO$_2$ is studied systematically. Both local density approximation (LDA) and local spin density approximation (LSDA) predict a large Fermi surface as well as small hole pockets for…

Structural, magnetization, phonon behavior, and dielectric response of nano-crystalline Gd$_2$CoMnO$_6$ have been presented in this paper. The study shows that the material crystallizes in $\textit{P2$_1$/n}$ phase group of the monoclinic…

We measured the resistivity and magnetic susceptibility to map out the phase diagram of single crystalline NaFe$_{1-x}$Co$_x$As. Replacement of Fe by Co suppresses both the structural and magnetic transition, while enhances the…

We have synthesized and characterized different stable phases of sodium cobaltates Na$_{x}$CoO$_{2}$ with sodium content $0.65<x<0.80$. We demonstrate that $^{23}$Na NMR allows to determine the difference in the susceptibility of the phases…

Here we report the magnetic properties of the layered cobalt oxide system, LixCoO2, in the whole range of Li composition, 0 <= x <= 1. Based on dc-magnetic susceptibility data, combined with results of 59Co-NMR/NQR observations, the…

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…

The strength and effect of Coulomb correlations in the (superconducting when hydrated) x~1/3 and ``enhanced'' x~2/3 regimes of Na(x)CoO2 are evaluated using the correlated band theory LDA+U method. Our results, neglecting quantum…

We have utilized neutron powder diffraction to probe the crystal structure of layered Na$_{x}$CoO$_{2}$ near the half doping composition of $x=$0.46 over the temperature range of 2 to 600K. Our measurements show evidence of a dynamic…

Macroscopic magnetization, muon spin rotation (muSR), and NMR measurements were carried out to study magnetism in the Na1CoO2 cobaltate. Using SQUID measurements, Na1CoO2 is shown to have a bulk magnetic susceptibility much lower and…

The magnetic moment per Co4+ of P2(gamma)-type NaxCoO2 in Curie-Weiss metal regime is revisited and examined under a newly proposed modification of the octahedral crystal electric field (CEF). The proposed model explains the origin of the…