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We construct an effective Hamiltonian for the motion of T2g highly correlated states in NaxCoO2. We solve exactly a multiband model in a CoO6 cluster with electronic occupation corresponding to a nominal Co valence of either +3 or +4. Using…

Strongly Correlated Electrons · Physics 2009-11-11 A. Bourgeois , A. A. Aligia , T. Kroll , M. D. Núñez-Regueiro

We derive an effective Hamiltonian for highly correlated $t_{2g}$ states centered at the Co sites of Na$_x$CoO$_2$. The essential ingredients of the model are an O mediated hopping, a trigonal crystal-field splitting, and on-site effective…

Strongly Correlated Electrons · Physics 2009-02-13 A. Bourgeois , A. A. Aligia , M. J Rozenberg

We present an angle-resolved photoemission study of Na0.7CoO2, the host cobaltate of the NaxCoO2.yH2O series. Our results show a large hexagonal-like hole-type Fermi surface, an extremely narrow strongly renormalized quasiparticle band and…

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 utilize fine-tuned polarization selection coupled with excitation-energy variation of photoelectron signal to image the \textit{complete d}-band dispersion relation in sodium cobaltates. A hybridization gap anticrossing is observed along…

Strongly Correlated Electrons · Physics 2009-11-11 D. Qian , L. Wray , D. Hsieh , L. Viciu , R. J. Cava , J. L. Luo , D. Wu , N. L. Wang , M. Z. Hasan

The t2g quasi-particle spectra of Na_0.3CoO_2 are calculated within the dynamical mean field theory. It is shown that as a result of dynamical Coulomb correlations charge is transfered from the nearly filled e_g' subbands to the a_1g band,…

Strongly Correlated Electrons · Physics 2009-11-10 H. Ishida , M. D. Johannes , A. Liebsch

We describe a simple scheme to construct a low-energy effective Hamiltonian H_eff for highly correlated systems containing non-metals like O, P or As (O in what follows) and a transition-metal (M) as the active part in the electronic…

Strongly Correlated Electrons · Physics 2015-05-18 A. A. Aligia , T. Kroll

A detailed tight-binding analysis of the electron band structure of the CuO_2 plane of layered cuprates is performed within a sigma-band Hamiltonian including four orbitals - Cu3d_x^2-y^2, Cu4s, O2p_x, and O2p_y. Both the experimental and…

Superconductivity · Physics 2009-10-31 T. Mishonov , E. Penev

Dynamical mean field theory combined with finite-temperature exact diagonalization is shown to be a suitable method to study local Coulomb correlations in realistic multi-band materials. By making use of the sparseness of the impurity…

Strongly Correlated Electrons · Physics 2009-11-11 C. A. Perroni , H. Ishida , A. Liebsch

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

By a canonical transformation of the three-band Hubbard model, we introduce an effective Hamiltonian for the propagation of two holes doped into the ground state of the Cu-O plane. When the pair belongs to the $^{1}B_{2}$ or $% ^{1}A_{2}$…

Superconductivity · Physics 2007-05-23 Michele Cini , Gianluca Stefanucci , Adalberto Balzarotti

The electronic structure of single crystals Na$_{0.6}$CoO$_2$, which are closely related to the superconducting Na$_{0.3}$CoO$_2$.$y$H$_2$O ($T_c \sim 5K$), is studied by angle-resolved photoelectron spectroscopy. While the measured Fermi…

We calculate the effective trigonal crystal field Delta which splits the t2g levels of effective models for NaxCoO2 as the local symmetry around a Co ion is reduced from Oh to D3d. To this end we solve numerically a CoO6 cluster containing…

Strongly Correlated Electrons · Physics 2013-08-26 A. A. Aligia

We report a systematic angle-resolved photoemission study on Na$_x$CoO$_2$ for a wide range of Na concentrations ($0.3 \leq x \leq 0.72$). In all the metallic samples at different $x$, we observed (i) only a single hole-like Fermi surface…

Strongly Correlated Electrons · Physics 2007-05-23 H. -B. Yang , Z. -H. Pan , A. K. P. Sekharan , T. Sato , S. Souma , T. Takahashi , R. Jin , B. C. Sales , D. Mandrus , A. V. Fedorov , Z. Wang , H. Ding

Motivated by recently reported experimental phase diagrams, we study the effects of CoO6 distortion on the electronic structure in NaxCoO2.yH2O. We construct the multiband tight-binding model by employing the LDA result. Analyzing this…

Superconductivity · Physics 2009-09-29 Masahito Mochizuki , Masao Ogata

We have investigated the electronic states in quasi one dimensional (1D) CuO chains by microprobe Angle Resolved Photoemission Spectroscopy. We find that the quasiparticle Fermi surface consists of six disconnected segments, consistent with…

It is shown that the low-energy single-particle excitation-spectrum of the three-band Hubbard model at hole-dopings away from half-filling agrees remarkably well with Quantum Monte Carlo data and spectroscopic experiments within the…

Condensed Matter · Physics 2008-02-03 R. Putz , R. Preuss , A. Muramatsu , W. Hanke

We perform an orthogonal basis tight binding fit to an LAPW calculation of paramagnetic Na$_x$CoO$_2$ for several dopings. The optimal position of the apical oxygen at each doping is resolved, revealing a non-trivial dependence of the band…

Superconductivity · Physics 2009-11-10 M. D. Johannes , D. A. Papaconstantopoulos , D. J. Singh , M. J. Mehl

We have performed an angle-resolved photoemission study of the iron pnictide superconductor KFe2As2 with Tc 4 K. Most of the observed Fermi surfaces show almost two-dimensional shapes, while one of the quasi-particle bands near the Fermi…

Strongly Correlated Electrons · Physics 2012-01-24 T. Yoshida , I. Nishi , A. Fujimori , M. Yi , R. G. Moore , D. -H. Lu , Z. -X. Shen , K. Kihou , P. M. Shirage , H. Kito , C. H. Lee , A. Iyo , H. Eisaki , H. Harima

Using angle-resolved photoemission spectroscopy, we show that the recently-discovered surface state on SrTiO$_{3}$ consists of non-degenerate $t_{2g}$ states with different dimensional characters. While the $d_{xy}$ bands have quasi-2D…

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