English

Supercell band calculations and correlation for high-$T_C$ copper oxide superconductors

Superconductivity 2009-08-20 v1

Abstract

First principle band calculations based on local versions of density functional theory (DFT), together with results from nearly free-electron models, can describe many typical but unusual properties of the high-TCT_C copper oxides. The methods and a few of the most important results are reviewed. Some additional calculations are presented and the problems with the commonly used approximate versions of DFT for oxides are discussed with a few ideas for corrections. It is concluded that rather modest corrections to the approximate DFT, without particular assumptions about strong correlation, can push the ground state towards anti-ferro magnetic (AFM) order. Spin fluctuations interacting with phonons are crucial for the mechanism of superconductivity in this scenario.

Keywords

Cite

@article{arxiv.0908.2767,
  title  = {Supercell band calculations and correlation for high-$T_C$ copper oxide superconductors},
  author = {T. Jarlborg},
  journal= {arXiv preprint arXiv:0908.2767},
  year   = {2009}
}

Comments

To appear in "Advances in Condensed Matter Physics" special issue on "Phonons and Electron Correlations in High-Temperature and Other Novel Superconductors"