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DDC: 530 × Subject: Copper oxides ×

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    Electronic correlations and magnetic interactions in infinite-layer NdNiO2
    (Woodbury, NY : Inst., 2020) Katukuri, Vamshi M.; Bogdanov, Nikolay A.; Weser, Oskar; Van den Brink, Jeroen; Alavi, Ali
    The large antiferromagnetic exchange coupling in the parent high-Tc cuprate superconductors is believed to play a crucial role in pairing the superconducting carriers. The recent observation of superconductivity in hole-doped infinite-layer (IL-) NdNiO2 brings to the fore the relevance of magnetic coupling in high-Tc superconductors, particularly because no magnetic ordering is observed in the undoped IL-NdNiO2, unlike in parent copper oxides. Here, we investigate the electronic structure and the nature of magnetic exchange in IL-NdNiO2 using state-of-the-art many-body quantum chemistry methods. From a systematic comparison of the electronic and magnetic properties with isostructural cuprate IL-CaCuO2, we find that the on-site dynamical correlations are significantly stronger in IL-NdNiO2 compared to the cuprate analog. These dynamical correlations play a critical role in the magnetic exchange resulting in an unexpectedly large antiferromagnetic nearest-neighbor isotropic J of 77 meV between the Ni1+ ions within the ab plane. While we find many similarities in the electronic structure between the nickelate and the cuprate, the role of electronic correlations is profoundly different in the two. We further discuss the implications of our findings in understanding the origin of superconductivity in nickelates. © 2020 authors.
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    Surface of underdoped YBa2Cu3O7- δ as revealed by STM/STS
    (London : BioMed Central, 2009) Urbanik, G.; Hänke, T.; Hess, C.; Büchner, B.; Ciszewski, A.; Hinkov, V.; Lin, C.T.; Keimer, B.
    We performed scanning tunneling microscopy and spectroscopy on untwinned crystals of underdoped YBa2Cu3O7- δ at δ = 0.4. A comprehensive statistical analysis of our topographic data indicates a doping dependent cleaving behavior of this material. We find in particular that at δ = 0.4 the material primarily cleaves in multiples of one unit cell along the c-axis with a high corrugation of the topmost layer. Our data suggest that the low temperature cleaving mainly results in a disruption of the CuO chain layers involving a redistribution of the layer atoms onto the two cleaving planes. In a few instances, fractional step heights (in terms of the c-axis lattice constant) are observed as well. Scanning tunneling spectroscopy reveals that such fractional steps connect surfaces which differ significantly in their tunneling conductance.