Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 7, Issue 21, Pages 11490-11496Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.5b02441
Keywords
2D materials; antimonene; electronic properties; Raman spectra; STM
Funding
- Army Research Office [W911NF-14-2-0088]
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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 alpha and beta allotropes of antimonene are stable and semiconducting. The a-Sb has a puckered structure with two atomic sublayers and beta-Sb has a buckled hexagonal lattice. The calculated Raman spectra and STM images have distinct features thus facilitating characterization of both allotropes. The beta-Sb has nearly isotropic mechanical properties, whereas alpha-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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