Dominance of many-body effects over one-electron mechanism for band structure doping dependence in Nd$_{2-x}$Ce$_x$CuO$_4$: LDA+GTB approach

Details Dominance of many-body effects over one-electron mechanism for band structure doping dependence in Nd$_{2-x}$Ce$_x$CuO$_4$: LDA+GTB approach Dominance of many-body effects over one-electron mechanism for band structure doping dependence in Nd$_{2-x}$Ce$_x$CuO$_4$: LDA+GTB approach

2007-05-07

arxiv.org/abs/0705.0939v2

J. Phys.: Condens. Matter 19, 486203 (2007)

Physics

Condensed Matter

Strongly Correlated Electrons

15 pages, 4 figures, new references and their discussion added, figures updated

Scientific paper

10.1088/0953-8984/19/48/486203

In the present work we report the band structure calculations for the high temperature superconductor Nd$_{2-x}$Ce$_x$CuO$_4$ in the regime of strong electronic correlations within an LDA+GTB method, which combines the local density approximation (LDA) and the generalized tight-binding method (GTB). The two mechanisms of band structure doping dependence were taken into account. Namely, the one-electron mechanism provided by the doping dependence of the crystal structure, and the many-body mechanism provided by the strong renormalization of the fermionic quasiparticles due to the large on-site Coulomb repulsion. We have shown that in the antiferromagnetic and in the strongly correlated paramagnetic phases of the underdoped cuprates the main contribution to the doping evolution of band structure and Fermi surface comes from the many-body mechanism.

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