Two-Dimensional Antimony Oxide

TL;DR

This paper explores various stable structures and electronic properties of 2D antimony oxide (antimonene oxide) using DFT calculations, revealing potential applications in electronics and materials science.

Contribution

It introduces new 2D antimony oxide structures with diverse electronic properties, expanding understanding of their stability and vibrational characteristics.

Findings

Structures range from topological insulators to semiconductors.

Band gaps between 2.0 and 4.9 eV.

Vibrational and Raman spectra for experimental identification.

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.