Tailoring electronic properties of two-dimensional antimonene with isoelectronic counterparts

• 来源期刊: 中国物理B（英文版）
• 关键词: tailoring electronic properties two-dimensional antimonene isoelectronic counterparts
• 年，卷（期）: 2020,（3）
• 页码范围: 45-54
• 页数: 10页
• 语种: 英文
• DOI: 10.1088/1674-1056/ab6c4e

摘要

Using ab initio density functional theory calculations, we explore the three most stable structural phases, namely,α,β, and cubic (c) phases, of two-dimensional (2D) antimonene, as well as its isoelectronic counterparts SnTe and InI. We find that the band gap increases monotonically from Sb to SnTe to InI along with an increase in ionicity, independent of the structural phases. The band gaps of this material family cover the entire visible-light energy spectrum, ranging from 0.26 eV to 3.37 eV, rendering them promising candidates for optoelectronic applications. Meanwhile, band-edge positions of these materials are explored and all three types of band alignments can be achieved through properly combining antimonene withits isoelectronic counterparts to form heterostructures. The richness in electronic properties for this isoelectronic material family sheds light on possibilities to tailor the fundamental band gap of antimonene via lateral alloying or forming vertical heterostructures.