AI Article Synopsis
- Antimonene, a 2D material, reacts with air to form antimonene oxide, leading to various single- and few-layer structures.
- Using density functional theory (DFT), these structures exhibit diverse electronic properties, including behaviors as topological insulators and semiconductors, with band gaps ranging from 2.0 to 4.9 eV.
- The study also covers the vibrational properties and Raman spectra, which can help in experimentally identifying these newly predicted structures.
Article Abstract
Two-dimensional (2D) antimony, so-called antimonene, can form antimonene oxide when exposed to air. We present different types of single- and few-layer antimony oxide structures, based on density functional theory (DFT) calculations. Depending on stoichiometry and bonding type, these novel 2D layers have different structural stability and electronic properties, ranging from topological insulators to semiconductors with direct and indirect band gaps between 2.0 and 4.9 eV. We discuss their vibrational properties and Raman spectra for experimental identification of the predicted structures.
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| http://dx.doi.org/10.1103/PhysRevLett.124.126101 | DOI Listing |
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