A1 Journal article (refereed), original research

Ab initio description of the Bi2Sr2CaCu2O8+δ electronic structure

Open Access publication

Publication Details
Authors: Nokelainen Johannes, Lane Christopher, Markiewicz Robert S., Barbiellini Bernardo, Pulkkinen Aki, Singh Bahadur, Sun Jianwei, Pussi Katariina, Bansil Arun
Publisher: American Physical Society
Publication year: 2020
Language: English
Related Journal or Series Information: Physical review B: Condensed matter and materials physics
Volume number: 101
Issue number: 21
ISSN: 1098-0121
eISSN: 1538-4489
JUFO-Level of this publication: 2
Social media address: https://arxiv.org/abs/2003.04034
Open Access: Open Access publication


Bi-based cuprate superconductors are important materials for both fundamental research and applications. Asin other cuprates, the superconducting phase in the Bi compounds lies close to an antiferromagnetic phase. Ourdensity functional theory calculations based on the strongly-constrained-and-appropriately-normed exchangecorrelation functional in Bi2Sr2CaCu2O8+δreveal the persistence of magnetic moments on the copper ionsfor oxygen concentrations ranging from the pristine phase to the optimally hole-doped compound. We alsofind the existence of ferrimagnetic solutions in the heavily doped compounds, which are expected to suppresssuperconductivity

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Last updated on 2020-29-09 at 11:10