Search results for "transition-metal dichalcogenides"

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Out-of-plane transport of 1T-TaS2/graphene-based van der Waals heterostructures

2021

Due to their anisotropy, layered materials are excellent candidates for studying the interplay between the in-plane and out-of-plane entanglement in strongly correlated systems. A relevant example is provided by 1T-TaS2, which exhibits a multifaceted electronic and magnetic scenario due to the existence of several charge density wave (CDW) configurations. It includes quantum hidden phases, superconductivity and exotic quantum spin liquid (QSL) states, which are highly dependent on the out-of-plane stacking of the CDW. In this system, the interlayer stacking of the CDW is crucial for the interpretation of the underlying electronic and magnetic phase diagram. Here, thin-layers of 1T-TaS2 are …

Materials scienceBand gapquantum materialsStackingVan der Waals heterostructuresGeneral Physics and AstronomyFOS: Physical sciencescharge-density waves02 engineering and technologyQuantum entanglementDFT calculations01 natural scienceslaw.inventionsymbols.namesakelaw0103 physical sciences11. Sustainability1T-TAS2General Materials Science010306 general physicsMaterialsSuperconductivityCondensed Matter - Materials ScienceCondensed matter physicsGrapheneFermi levelphase-transitionsGeneral EngineeringMaterials Science (cond-mat.mtrl-sci)Conductivitat elèctrica021001 nanoscience & nanotechnology2D materialsstatemodelelectrical propertiestransition-metal dichalcogenidessymbolsQuantum spin liquid0210 nano-technologyCharge density wave
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Density-Functional Tight-Binding Simulations of Curvature-Controlled Layer Decoupling and Band-Gap Tuning in Bilayer MoS2

2014

Monolayer transition-metal dichalcogenides (TMDCs) display valley-selective circular dichroism due to the presence of time-reversal symmetry and the absence of inversion symmetry, making them promising candidates for valleytronics. In contrast, in bilayer TMDCs both symmetries are present and these desirable valley-selective properties are lost. Here, by using density-functional tight-binding electronic structure simulations and revised periodic boundary conditions, we show that bending of bilayer MoS2 sheets breaks band degeneracies and localizes states on separate layers due to bendinginduced strain gradients across the sheets. We propose a strategy for employing bending deformations in b…

transition-metal dichalcogenidesaugmented-wave method
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