Influence of quantum confinement on the electronic structure of the transition metal sulfide TS2

被引:1545
作者
Kuc, A. [1 ]
Zibouche, N. [1 ]
Heine, T. [1 ]
机构
[1] Jacobs Univ Bremen, Sch Sci & Engn, D-28759 Bremen, Germany
关键词
MOS2; DICHALCOGENIDES; SPECTROSCOPY; WSE2;
D O I
10.1103/PhysRevB.83.245213
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its slab thickness to a monolayer, MoS2 undergoes a transition to the direct band semiconductor. We support this experimental observation by first-principle calculations and show that quantum confinement in layered d-electron dichalcogenides results in tuning the electronic structure. We further studied the properties of related TS2 nanolayers (T = W, Nb, Re) and show that the isotopological WS2 exhibits similar electronic properties, while NbS2 and ReS2 remain metallic independent of the slab thickness.
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页数:4
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