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arxiv: 1402.4915 · v1 · pith:T2YMF6TUnew · submitted 2014-02-20 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

Quasiparticle self-consistent GW study of LaNiO₃ and LaNiO₃/LaAlO₃ superlattice

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords lanioresultbandlaalomodelquasiparticleself-consistentsuperlattice
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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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