Influence of the Chemical Pressure on the Magnetic Properties of the Mixed Anion Cuprates Cu<sub>2</sub>OX<sub>2</sub> (X = Cl, Br, I)

In this study, we theoretically investigate the structural, electronic and magnetic properties of the Cu<sub>2</sub>OX<sub>2</sub> (X = Cl, Br, I) compounds. Previous studies reported potential spin-driven ferroelectricity in Cu<sub>2</sub>OCl<sub>2</sub&...

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Bibliographic Details
Main Authors: William Lafargue-Dit-Hauret, Xavier Rocquefelte
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Computation
Subjects:
Online Access:https://www.mdpi.com/2079-3197/10/5/73