Abstract
Two-dimensional (2D) ferromagnetic materials with strong ferromagnetism and high Curie temperature are significantly desired for the applications of nanoscale devices. Here, based on first-principles computations, we report that hydrogenated/oxygenated Mn2C monolayer is a such 2D material. The bare Mn2C monolayer is an antiferromagnetic metal with the local magnetic moment of Mn ∼3 μB. However, the antiferromagnetic coupling of Mn atoms can transform into the ferromagnetic order under hydrogenation/oxygenation. Especially, the intrinsic magnetic moments in the hydrogenated/oxygenated Mn2C monolayer can be as large as 6 μB per unit cell, and the Curie temperatures are above 290 K. Beside the potential applications in spintronic devices, our work suggests that the Mn2C monolayer is also promising to be used in hydrogen/oxygen detection and removal devices.
Published Version
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