Nanoscale · 2020 · 37 citations · 63 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSemiconductor MaterialsSolid State PhysicsCompound SemiconductorsElectronic Band StructureElectronic Structure Of SolidsSemiconductor PhysicsTwo-dimensional SemiconductorsWide Band Gap SemiconductorsHexagonal ArchitectureHexagonal Crystal LatticesHexagonal Unit CellsPhysical PropertiesSemiconductor CrystallographyTransition Metal DichalcogenidesTwo-dimensional Compound Semiconductors
New phases of group IV-VI semiconductors in 2D hexagonal structures are predicted and their unusual physical properties are revealed. The structures of monolayer group IV-VI semiconductors are similar to those of blue phosphorene and each unit has the same ten valence electrons. The band gap of 2D hexagonal group IV-VI semiconductors depends on both the thickness and stacking order. Atomic functionalization can induce ferromagnetism, and the Curie temperature can be tuned. Gapped Dirac fermions with zero mass are developed and this makes it exceed that of graphene. The Fermi velocity can be compared to or even above that of graphene.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16