Oxidation tuning of ferroic transitions in Gd2C monolayer.

Abstract

Tuning of ferroic phases provides great opportunities for material functionalities, especially in two-dimensional materials. Here, a 4f rare-earth carbide Gd2C monolayer is predicted to be a 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 in monitoring these phase transitions.