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M. D. Núñez-Regueiro

Publications and source records attributed to M. D. Núñez-Regueiro.

2 recordsLinked to original sources

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↗

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↗