Tunable Indirect-Direct Transition of Few-Layer SnSe via Interface Engineering

TL;DR

This paper demonstrates that interface engineering in few-layer SnSe can induce an indirect-to-direct electronic bandgap transition, offering new avenues for optoelectronic device design based on stacking-dependent electronic properties.

Contribution

The study reveals that stacking-dependent interlayer interactions can be engineered to achieve direct bandgaps in few-layer SnSe, providing fundamental insights for device applications.

Findings

Stacking-dependent indirect-direct transition in bilayer SnSe.

Interlayer interaction directionality determines electronic band structure.

Interface stacking engineering enables direct bandgap in few-layer SnSe.

Abstract

Tin Selenide (SnSe) is one of the best thermoelectric materials reported to date. The possibility of growing few-layer SnSe helped boost the interest in this long-known, earth abundant material. Pristine SnSe in bulk, mono- and few-layer forms are reported to have indirect electronic bandgaps. Possible indirect-direct transition in SnSe is attractive for its optoelectronic-related applications. Based on the results from first principles Density Functional Theory (DFT) calculations, we carefully analyzed electronic band structures of bulk, and bilayer SnSe with various interlayer stackings. We report the possible stacking-dependent indirect-direct transition of bilayer SnSe. By further analysis, our results reveal that it is the directionality of interlayer interactions that determine the critical features of their electronic band structures. In fact, by engineering the interface stacking between layers, it is possible to achieve few-layer SnSe with direct electronic band gap. This study provides fundamental insights to design few-layer SnSe and SnSe heterostructures for electronic/optoelectronic applications, where the interface geometry plays a fundamental role in device performance.

Figures

Full text

See pages 1-5 of Sirikumara.pdf