Influence of the Chemical Pressure on the Magnetic Properties of the Mixed Anion Cuprates Cu₂OX₂ (X = Cl, Br, I)

In this study, we theoretically investigate the structural, electronic and magnetic properties of the Cu₂OX₂ (X = Cl, Br, I) compounds. Previous studies reported potential spin-driven ferroelectricity in Cu₂OCl<sub>2</sub&...

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書誌詳細

出版年:	Computation
主要な著者:	William Lafargue-Dit-Hauret, Xavier Rocquefelte
フォーマット:	論文
言語:	英語
出版事項:	MDPI AG 2022-05-01
主題:	Cu<sub>2</sub>OCl<sub>2</sub> Cu<sub>2</sub>OBr<sub>2</sub> Cu<sub>2</sub>OI<sub>2</sub> oxyhalides density functional theory magnetic couplings
オンライン･アクセス:	https://www.mdpi.com/2079-3197/10/5/73