2020
DOI: 10.1103/physrevb.101.155135
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Landscape of coexisting excitonic states in the insulating single-layer cuprates and nickelates

Abstract: We present an ab initio study of the excitonic states of a prototypical high-temperature superconductor La2CuO4 and compare them to the isostructural single-layer nickelate La2NiO4. Key difference in the low-energy electronic structure leads to very different excitonic behavior. Excitons in La2CuO4 are delocalized and can freely move in the CuO2 plane without disturbing the antiferromagnetic order. In contrast, in La2NiO4 we find the low-lying excitonic states to be extremely localized, producing a nearly flat… Show more

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Cited by 18 publications
(14 citation statements)
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“…Similarly promising chiral-triplet superconductivity is predicted in heavyfermion dichalcogenide UTe 2 [40]. Possible topological superconductivity is predicted theoretically in other 2D transition metal dichalcogenides, as well as other correlated 2D materials [41].…”
Section: Experimentally Feasible Systemssupporting
confidence: 53%
“…Similarly promising chiral-triplet superconductivity is predicted in heavyfermion dichalcogenide UTe 2 [40]. Possible topological superconductivity is predicted theoretically in other 2D transition metal dichalcogenides, as well as other correlated 2D materials [41].…”
Section: Experimentally Feasible Systemssupporting
confidence: 53%
“…[4] and references therein for the phenomenology with hole doping). However to our surprise, while there are standard-DFT [13,61], DFT+U [62] and meta generalizedgradient approximation [63] studies, we could not find an in-depth realistic-DMFT investigation for this material in the literature. This section is hence also devoted to fill this void.…”
Section: La 2 Niomentioning
confidence: 61%
“…In the last decades the 4d and 5d TMO perovskites have gained increasing interest due to the discovery of novel electronic and magnetic quantum states of matter arising from the coupling between spin-orbit interaction and other active degrees of freedom [9][10][11][12]. Up to now, few theoretical studies have investigated the role of excitonic effects on the optical spectra of TMO perovskites [13][14][15][16][17]. These works have proved that the random phase approximation (RPA) is able to reproduce the experimental data only to a limited extent and that the inclusion of electron-hole (e-h) interaction is often pivotal to achieve a satisfying account of the optical transitions [14][15][16].…”
Section: Introductionmentioning
confidence: 99%