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arXiv · 1804.01621

Theoretical prediction of two-dimensional CrOF sheet as a ferromagnetic semiconductor or a half-metal

Tiantian Xiao·Guo Wang·Yi Liao
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Abstract

Two-dimensional chromium oxide fluoride CrOF sheet was studied based on density functional theory. The investigation indicates that the CrOF sheet is an intrinsic ferromagnetic semiconductor. The calculated low cleavage energy implies that the ferromagnetic semiconductor can be exfoliated from its bulk form. The corresponding Curie temperature is 150 K. In particular, the Curie temperature increases up to 410 K under hole doping and the CrOF sheet becomes a half-metal. The versatile electronic and magnetic properties indicate that the two-dimensional CrOF sheet can be a promising candidate for next-generation spintronic devices.

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Tiantian Xiao, Guo Wang, Yi Liao. 2018-04-04. Theoretical prediction of two-dimensional CrOF sheet as a ferromagnetic semiconductor or a half-metal. https://doi.org/10.1016/j.chemphys.2018.08.007

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