English

Quasiparticle self-consistent GW study of LaNiO$_3$ and LaNiO$_3$/LaAlO$_3$ superlattice

Strongly Correlated Electrons 2014-07-24 v1 Materials Science

Abstract

Using quasiparticle self-consistent GWGW calculations we examined the electronic structure of LaNiO3_3 and the LaNiO3_3/LaAlO3_3 superlattice. The effects of electron correlation in Ni-dd bands were reasonably well described without any {\it ad hoc} parameter and without the ambiguity related to the double-counting and downfolding issues. The effective mass is about 30%30\% enhanced compared to the GGA result. One band feature, which is believed to be essential for the cuprate-like superconductivity, is not realized and the central Fermi surface pocket does not disappear. Our result is consistent with a recent dynamical mean field calculation based on the dd--pp model and in contrast to the result from a dd-band only model.

Keywords

Cite

@article{arxiv.1402.4915,
  title  = {Quasiparticle self-consistent GW study of LaNiO$_3$ and LaNiO$_3$/LaAlO$_3$ superlattice},
  author = {Myung Joon Han and Hiori Kino and Takao Kotani},
  journal= {arXiv preprint arXiv:1402.4915},
  year   = {2014}
}