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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…

Strongly Correlated Electrons · Physics 2007-05-23 Sen Zhou , Meng Gao , Hong Ding , Patrick A. Lee , Ziqiang Wang

We report systematic measurements using the ^{59}Co nuclear quadrupole resonance(NQR) technique on the cobalt oxide superconductors Na_{x}CoO_{2}\cdot 1.3H_{2}O over a wide Na content range x=0.25\sim 0.34. We find that T_c increases with…

Superconductivity · Physics 2009-11-11 Guo-qing Zheng , Kazuaki Matano , R. L. Meng , J. Cmaidalka , C. W. Chu

We investigate the electronic structure of (Sr$_{1-x}$La$_x$)$_2$RhO$_4$ using a combination of the density functional and dynamical mean-field theories. Unlike the earlier local density approximation plus Hubbard $U$ (LDA+U) studies, we…

Strongly Correlated Electrons · Physics 2015-03-05 Kyo-Hoon Ahn , Kwan-Woo Lee , Jan Kunes

We investigate the spin state of LaCoO3 using state-of-the-art photoemission spectroscopy and ab initio band structure calculations. The GGA+U calculations provide a good description of the ground state for the experimentally estimated…

Strongly Correlated Electrons · Physics 2007-07-10 S. K. Pandey , Ashwani Kumar , S. Patil , V. R. R. Medicherla , R. S. Singh , K. Maiti , D. Prabhakaran , A. T. Boothroyd , A. V. Pimpale

Measurements of polarization-dependent soft x-ray absorption reveal that the electronic states determining the low-energy excitations of Na$_{x}$CoO$_2$ have predominantly $a_{1g}$ symmetry with significant O $2p$ character. A large…

Strongly Correlated Electrons · Physics 2009-11-10 W. B. Wu , D. J. Huang , J. Okamoto , A. Tanaka , H. -J. Lin , F. C. Chou , A. Fujimori , C. T. Chen

The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…

Materials Science · Physics 2009-10-31 I. I. Mazin , D. J. Singh , Claudia Ambrosch-Draxl

The optical conductivity of single crystals of Na_xCoO_2 for $x$ = 0.57 is first reported between 295 and 30 K. In the far infrared, an "anomalous Drude" analysis leads to a carrier effective mass of 5 electron masses. That this high value…

Superconductivity · Physics 2009-11-10 S. Lupi , M. Ortolani , P. Calvani

The strength and effect of Coulomb correlations in the (superconducting when hydrated) x~1/3 regime of Na(x)CoO(2) have been evaluated using the correlated band theory LDA+U method. Our results, neglecting quantum fluctuations, are: (1)…

Strongly Correlated Electrons · Physics 2007-05-23 J. Kunes , K. -W. Lee , W. E. Pickett

Optical properties of the isoelectronic compounds LaCoO$_3$ and HoCoO$_3$ has been experimentally and theoretically investigated. We've measured the real $\epsilon_1(\omega)$ and imaginary $\epsilon_2(\omega)$ parts of the dielectric…

We report infrared spectra of a Na$_{0.5}$CoO$_2$ single crystal which exhibits a sharp metal-insulator transition near 50 K due to the formation of charge ordering. In comparison with x=0.7 and 0.85 compounds, we found that the spectral…

Strongly Correlated Electrons · Physics 2009-11-10 N. L. Wang , Dong Wu , G. Li , X. H. Chen , C. H. Wang , X. G. Luo

The electronic band structures of the parent compound Na0.3CoO2 and the hydrated superconductor Na0.3CoO2.1.3H2O were evaluated using the local spin density approximation (LSDA). Systematic analysis on the bands near the Fermi surface (FS)…

Superconductivity · Physics 2009-11-11 R. J. Xiao , H. X. Yang , J. Q. Li

We report the results of a comprehensive spectroscopic ellipsometry study of NaCu2O2, a compound composed of chains of edge-sharing Cu2+O4 plaquettes and planes of Cu1+ ions in a O-Cu1+-O dumbbell configuration, in the spectral range…

Strongly Correlated Electrons · Physics 2015-05-30 Y. Matiks , A. N. Yaresko , K. Myung-Whun , A. Maljuk , P. Horsch , B. Keimer , A. V. Boris

Two recent reports confirm that the newly synthesized Sr$_2$CoO$_4$ (formal oxidation state Co$^{4+}$) shows a high Curie temperature (~ 250 K), but they report different moments of 1.8 $\mu_B$ and 1 $\mu_B$ per Co. Using both commonly used…

Strongly Correlated Electrons · Physics 2007-05-23 K. -W. Lee , W. E. Pickett

We investigate the electronic states and the transport properties of the CoO2 plane in NaxCoO2 on the basis of the two-dimensional triangular lattice 11-band d-p model by using the fluctuation exchange approximation, where we consider the…

Strongly Correlated Electrons · Physics 2015-05-13 Y. Yanagi , Y. Ōno

Using the merger of local density approximation and dynamical mean field theory, we show how electronic correlations increase the thermopower of Na$_{0.7}$CoO$_2$ by 200%. The newly revealed mechanism is an asymmetric shift of (quasi)…

Strongly Correlated Electrons · Physics 2015-03-19 P. Wissgott , A. Toschi , H. Usui , K. Kuroki , K. Held

Observed optical reflectivity in the infrared spectral region is compared with theoretical predictions in a strongly coupled electron-phonon system. Starting from a Froehlich Hamiltonian, the spectral functions and their temperature…

Superconductivity · Physics 2007-05-23 H. J. Kaufmann , E. G. Maksimov , E. K. H. Salje

We report the reflectivity and the resistivity measurement of Ca_{2-x}Na_{x}CuO_{2}Cl_{2} (CNCOC), which has a single-CuO2-plane lattice with no orthorhombic distortion. The doping dependence of the in-plane optical conductivity spectra for…

Superconductivity · Physics 2009-11-10 K. Waku , T. Katsufuji , Y. Kohsaka , T. Sasagawa , H. Takagi , H. Kishida , H. Okamoto , M. Azuma , M. Takano

CoO2 is the parent compound for the superconductor NaxCoO2\cdot1.3H2O and was widely believed to be a Mott insulator. We performed 59Co nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) studies on LixCoO2 (x = 0.35,…

Superconductivity · Physics 2015-05-13 S. Kawasaki , T. Motohashi , K. Shimada , T. Ono , R. Kanno , M. Karppinen , H. Yamauchi , Guo-qing Zheng

Na$_x$CoO$_2$, the parent compound of the recently synthesized superconductor Na$_x$CoO$_2$:$y$H$_2$O, exhibits bulk antiferromagnetic order below $\sim20$ K for 0.75 $\leq x \leq$ 0.9. We have performed neutron scattering experiments in…

Strongly Correlated Electrons · Physics 2009-11-10 S. P. Bayrakci , I. Mirebeau , P. Bourges , Y. Sidis , M. Enderle , J. Mesot , D. P. Chen , C. T. Lin , B. Keimer

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.…

Strongly Correlated Electrons · Physics 2011-03-11 A. O. Shorikov , M. M. Korshunov , V. I. Anisimov