Influence of quantum confinement on the electronic structure of the transition metal sulfide<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"...

Abstract

Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an\nindirect band gap semiconductor. Reducing its size to a monolayer, MoS2\nundergoes a transition to the direct band semiconductor. We support this\nexperimental observation by first principles calculations and show that quantum\nconfinement in layered d-electron dichalcogenides results in tuning the\nelectronic structure at the nanoscale. We further studied the properties of\nrelated TmS2 nanolayers (Tm = W, Nb, Re) and show that the isotopological WS2\nexhibits similar electronic properties, while NbS2 and ReS2 remain metallic\nindependent on size.\n

Keywords

Quantum dotTransition metalSemiconductorMaterials scienceElectronic structureMonolayerSlabMetalBand gapCondensed matter physicsSulfideElectronic band structureNanotechnologyPhysicsOptoelectronicsChemistryMetallurgy

Affiliated Institutions

Constructor University DE

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Publication Info

Year: 2011
Type: article
Volume: 83
Issue: 24
Citations: 1681
Access: Closed

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Influence of quantum confinement on the electronic structure of the transition metal sulfide<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>T</mml:mi></mml:mrow></mml:math>S<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

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APA Style

                            
                                    Agnieszka Kuc, 
                                
                                    Nourdine Zibouche, 
                                
                                    Thomas Heine
                                
                            (2011). 
                            Influence of quantum confinement on the electronic structure of the transition metal sulfide<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>T</mml:mi></mml:mrow></mml:math>S<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>. 
                            Physical Review B
                            , 83
                            (24)
                            .
                            https://doi.org/10.1103/physrevb.83.245213

Identifiers

DOI: 10.1103/physrevb.83.245213