Atomically Thin Group V Elemental Films: Theoretical Investigations of Antimonene Allotropes
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- 19 May 2015
- journal article
- Published by American Chemical Society (ACS) in ACS Applied Materials & Interfaces
- Vol. 7 (21), 11490-11496
- https://doi.org/10.1021/acsami.5b02441
Abstract
Group V elemental monolayers including phosphorene are emerging as promising 2D materials with semiconducting electronic properties. Here, we present the results of first-principles calculations on stability, mechanical and electronic properties of 2D antimony (Sb), antimonene. Our calculations show that free-standing α and β allotropes of antimonene are stable and semiconducting. The α-Sb has a puckered structure with two atomic sublayers and β-Sb has a buckled hexagonal lattice. The calculated Raman spectra and STM images have distinct features thus facilitating characterization of both allotropes. The β-Sb has nearly isotropic mechanical properties, whereas α-Sb shows strongly anisotropic characteristics. An indirect-direct band gap transition is expected with moderate tensile strains applied to the monolayers, which opens up the possibility of their applications in optoelectronics.Keywords
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Funding Information
- Army Research Office (W911NF-14-2-0088)
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