arXiv subjects

A. Bourgeois

Publications and source records attributed to A. Bourgeois.

3 recordsLinked to original sources

arXiv2009

Dynamical mean field theory of an effective three-band model for Na$_x$CoO$_2$

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 interactions derived from the exact solution of a multi-orbital model in a CoO$_6$ cluster, with parameters determined previously. The effective model is solved by dynamical mean-field theory (DMFT). We obtain a Fermi surface (FS) and electronic dispersion that agrees well with angle-resolved photoemission spectra (ARPES). Our results also elucidate the origin of the "sinking-pockets" in different doping regimes.

cond-mat.str-el↗

arXiv2006

Electronic structure and Fermi surface tolopogy of Na$_x$CoO$_2$

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 the ensuing ground states, we calculate the effective O mediated hopping t=0.10 eV between many-body T2g states, and estimate the direct hopping t'~0.04 eV. The trigonal splitting 3D=0.315 eV is taken from recent quantum chemistry calculations. The resulting effective Hamiltonian is solved using a generalized slave-boson mean-field approximation. The results show a significant band renormalization and a Fermi surface topology that agrees with experiment, in contrast to predictions using the local-density approximation.

cond-mat.str-el↗

arXiv2006

Quasiparticle dispersion near the Fermi surface in Na$_x$CoO$_2$

We construct an effective Hamiltonian for the motion of t2g highly correlated states in NaxCoO2. This three-band model includes the indirect Co-O-Co hopping t and the crystal-field splitting 3D. Calculations in a CoO6 cluster give the effective parameters t=100 meV and 3D=315 meV. The Hamiltonian is solved using a generalized slave-boson mean-field approximation. The results show a significant band renormalization. Without any additional hypothesis, the dispersion of the bands near the Fermi energy and Fermi surface topology agrees with angle-resolved photoemission experiments, in contrast to predictions using the local-density approximation.

cond-mat.str-el↗