Oxidation tuning of ferroic transitions in Gd${}_2$C monolayer

Abstract

Tuning of ferroic phases provides great opportunities for material functionalities, especially in two-dimensional materials. Here, a $4f$ rare-earth carbide Gd${}_2$C monolayer is predicted to be ferromagnetic metal with large magnetization, inherited from its bulk property. Based on first-principles calculations, we propose a strategy that the surface passivation can effectively tune its ferroicity, namely switching among ferromagnetic, antiferromagnetic, and ferroelectric phases. Metal-insulator transition also occurs accompanying these ferroic transitions. Our calculation also suggests that the magneto-optic Kerr effect and second harmonic generation are effective methods to monitor these phase transitions.

5 pages, 4 figures

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