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.

中文翻译：

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二维氧化锑

二维（2D）锑，即所谓的锑，暴露在空气中会形成氧化锑。基于密度泛函理论（DFT）计算，我们介绍了不同类型的单层和多层氧化锑结构。根据化学计量和键合类型，这些新颖的2D层具有不同的结构稳定性和电子特性，从拓扑绝缘体到具有直接和间接带隙介于2.0和4.9 eV之间的半导体。我们讨论了它们的振动特性和拉曼光谱，以用于预测结构的实验识别。