Elisabeth Pratidhina Founda Noviani
As a consequence of quantum confinement effect, the band gaps of nanowires are usually larger than its bulk counterpart. In this research, we study the electronic structures of [111]-oriented tin nanowires (Sn NWs) passivated with hydrogen atoms using density functional theory. Bulk Sn is known as a semimetal material with zero band gap, however the band gap is opened when tin nanowire is constructed e.g. the band gap of SnNW with diameter about 1.4 nm is 1.54 eV. The electronic structure of [111]-oriented SnNW under strain is also investigated. In the absence of strain, SnNWs have direct band gap, however under strain, direct-to-indirect band gap transition is observed. The critical strain for direct-to-indirect band gap transition is varied for various diameter of SnNWs. It is found that both tensile and compressive strain reduces the band gap. © 2017 Author(s).
Department of Physics Education, Widya Mandala Catholic University, Surabaya, Indonesia
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