From layers to nanotubes: Transition metal disulfides TMS 2

N. Zibouche, A. Kuc () and T. Heine

The European Physical Journal B: Condensed Matter and Complex Systems, 2012, vol. 85, issue 1, 1-7

Abstract: MoS 2 and WS 2 layered transition-metal dichalcogenides are indirect band gap semiconductors in their bulk forms. Thinned to a monolayer, they undergo a transition and become direct band gap materials. Layered structures of that kind can be folded to form nanotubes. We present here the electronic structure comparison between bulk, monolayered and tubular forms of transition metal disulfides using first-principle calculations. Our results show that armchair nanotubes remain indirect gap semiconductors, similar to the bulk system, while the zigzag nanotubes, like monolayers, are direct gap materials, what suggests interesting potential applications in optoelectronics. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2012

Keywords: Topical issue: From photophysics to optoelectronics of zero- and one-dimensional nanomaterials (search for similar items in EconPapers)
Date: 2012
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DOI: 10.1140/epjb/e2011-20442-1

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