Abstract:Due to their potential application in spintronic devices, two-dimensional (2D) ferromagnetic materials are highly desired. We use first-principles calculations and Monte Carlo simulations to investigate the electronic structure and magnetic...
“…The CrOF 2 monolayer exhibits a half-metallic nature with intrinsic ferromagnetism (FM) and a high phase transition temperature. The Pmna -MnOCl 2 monolayer is an FM-stabilized semiconductor with an indirect band gap of 0.152 eV, while the Pmmn -MnOCl 2 monolayer is an FM Dirac semimetal with a Curie temperature of 910 K. 20 Uniaxial strain drives the magnetic phase transition in CrOF 2 , resulting in a high phase transition temperature. 21 2D NbOX 2 materials possess suitable conduction band minimums (CBMs) and valence band maximums (VBMs) for photocatalytic water splitting, which can be further tuned by stacking.…”
Recently, two-dimensional (2D) multiferroic materials have aroused intensive interest owing to the combination of ferroelectric and magnetic properties. In this work, we design a family of 2D MSX2 (M =...
“…The CrOF 2 monolayer exhibits a half-metallic nature with intrinsic ferromagnetism (FM) and a high phase transition temperature. The Pmna -MnOCl 2 monolayer is an FM-stabilized semiconductor with an indirect band gap of 0.152 eV, while the Pmmn -MnOCl 2 monolayer is an FM Dirac semimetal with a Curie temperature of 910 K. 20 Uniaxial strain drives the magnetic phase transition in CrOF 2 , resulting in a high phase transition temperature. 21 2D NbOX 2 materials possess suitable conduction band minimums (CBMs) and valence band maximums (VBMs) for photocatalytic water splitting, which can be further tuned by stacking.…”
Recently, two-dimensional (2D) multiferroic materials have aroused intensive interest owing to the combination of ferroelectric and magnetic properties. In this work, we design a family of 2D MSX2 (M =...
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