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Single-layer metal halides MX<sub>2</sub> (X = Cl, Br, I): stability and tunable magnetism from first principles and Monte Carlo simulations

Journal of Materials Chemistry C · 2017 · Vol. 5(34) · pp. 8734–8741
Vadym V. KulishWei Huang

Abstract

We present a computational study on a novel class of single-layer materials.

2D Materials and ApplicationsMXene and MAX Phase MaterialsInorganic Chemistry and MaterialsMaterials scienceMagnetismHalideMonte Carlo methodMetalStability (learning theory)Metal halidesLayer (electronics)Physical chemistryCrystallography
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References
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Defect-induced magnetism in graphene
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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
Physical Review Letters · 2008 · 11,392 citations
Tightly bound trions in monolayer MoS2
Nature Materials · 2012 · 2,801 citations
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