Dominance of many-body effects over one-electron mechanism for band structure doping dependence in NdCeCuO: LDA+GTB approach
arXiv:0705.0939 · doi:10.1088/0953-8984/19/48/486203
Abstract
In the present work we report the band structure calculations for the high temperature superconductor NdCeCuO 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.
arXiv comment15 pages, 4 figures, new references and their discussion added, figures updated
References in corpus (8)
- LDA energy bands, low-energy Hamiltonians, t', t'', t_{perp}(k), and J_{perp}
- Muffin Tin Orbitals of Arbitrary Order
- A new hybrid LDA and Generalized Tight-Binding method for the electronic structure calculations of strongly correlated electron systems
- Out-of-plane instability and electron-phonon contribution to s- and d-wave pairing in high-temperature superconductors; LDA linear-response calculation for doped CaCuO2 and a generic tight-binding model
- Doping-dependent evolution of low-energy excitations and quantum phase transitions within effective model for High-Tc copper oxides
- First Principle Electronic Model for High-Temperature Superconductivity
- Tight-binding modelling of the electronic band structure of layered superconducting perovskites
- Prediction of the in-Gap States Above the Top of the Valence Band in the Undoped Insulating Cuprates due to Spin-Polaron Effect