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Charge density wave ordering in NdNiO_(2):effects of multiorbital nonlocal correlations

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摘要 In this work,we investigate collective electronic fluctuations and,in particular,the possibility of the charge density wave ordering in an infinite-layer NdNiO_(2).We perform advanced many-body calculations for the ab-initio three-orbital model by taking into account local correlation effects,nonlocal charge and magnetic fluctuations,and the electron-phonon coupling.We find that in the considered material,electronic correlations are strongly orbital-and momentum-dependent.Notably,the charge density wave and magnetic instabilities originate from distinct orbitals.
出处 《npj Computational Materials》 CSCD 2024年第1期2123-2133,共11页 计算材料学(英文)
基金 the support by the DFG through FOR 5249-449872909(Project P8)and by the European Research Council via Synergy Grant 854843-FASTCORR.
关键词 ORBITAL WAVE CHARGE
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