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Prediction of a monolayer spin-spiral semiconductor: CoO with a honeycomb lattice

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The recent successful fabrication of two-dimensional (2D) CoO with nanometer-thickness provides motivation to investigate monolayer CoO due to possible magnetic properties induced by Co atoms. Here, we employ first-principles calculations… Click to show full abstract

The recent successful fabrication of two-dimensional (2D) CoO with nanometer-thickness provides motivation to investigate monolayer CoO due to possible magnetic properties induced by Co atoms. Here, we employ first-principles calculations to show that monolayer CoO is a 2D spin-spiral semiconductor with a honeycomb lattice. The calculated phonon dispersion reveals the monolayer’s dynamical stability. The monolayer CoO exhibits a type-I spin-spiral magnetic ground state. The spin-spiral state and the direct bandgap character are both robust under biaxial compressive strain (-5%) to tensile strain (5%). The bandgap varies only slightly under either compressive or tensile strain up to 5%. These results suggest a potential for applications in spintronic devices and offer a new platform to explore magnetism in the 2D limit.

Keywords: spiral semiconductor; spin spiral; honeycomb lattice; monolayer; coo

Journal Title: Chinese Physics B
Year Published: 2023

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