Materials properties of out-of-plane heterostructures of MoS-WSe and WS-MoSe
Applied Physics Letters, ISSN: 0003-6951, Vol: 108, Issue: 6
2016
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Article Description
Based on first-principles calculations, the materials properties (structural, electronic, vibrational, and optical properties) of out-of-plane heterostructures formed from the transition metal dichalcogenides, specifically MoS-WSe and WS-MoSe, were investigated. The heterostructures of MoS-WSe and WS-MoSe are found to be direct and indirect band gap semiconductors, respectively. However, a direct band gap in the WS-MoSe heterostructure can be achieved by applying compressive strain. Furthermore, the excitonic peaks in both monolayer and bilayer heterostructures are calculated to understand the optical behavior of these systems. The suppression of the optical spectrum with respect to the corresponding monolayers is due to interlayer charge transfer. The stability of the systems under study is confirmed by performing phonon spectrum calculations.
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