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Atomically Thin Group V Elemental Films: Theoretical Investigations of Antimonene Allotropes

2015/03/31 by Gaoxue Wang, Ravindra Pandey, Shashi P. Karna · 482 citations
Engineering · Materials Science · Physics and Astronomy · #Graphene research and applications #Group (periodic table) #Materials science #Molecular Junctions and Nanostructures #Nanotechnology #Organic chemistry #Thin film #Topological Materials and Phenomena #cond-mat.mtrl-sci #physics.comp-ph

paper · pdf · doi:10.1021/acsami.5b02441

published in ACS Applied Materials & Interfaces 7(21), 11490-11496 (American Chemical Society)

openalex publication_date 2015/05/08 · arxiv created 2015/05/10 · arxiv updated 2015/05/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

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.

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