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arXiv · 1402.4915

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

Myung Joon Han·Hiori Kino·Takao Kotani
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Abstract

Using quasiparticle self-consistent $GW$ calculations we examined the electronic structure of LaNiO$_3$ and the LaNiO$_3$/LaAlO$_3$ superlattice. The effects of electron correlation in Ni-$d$ 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 $30\%$ 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 $d$--$p$ model and in contrast to the result from a $d$-band only model.

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Myung Joon Han, Hiori Kino, Takao Kotani. 2014-02-20. Quasiparticle self-consistent GW study of LaNiO$_3$ and LaNiO$_3$/LaAlO$_3$ superlattice. https://doi.org/10.1103/physrevb.90.035127

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