Versatile electronic properties and exotic edge states in single-layer tetragonal silicon carbides

TL;DR

This study uses DFT calculations to explore three novel single-layer tetragonal silicon carbide structures with diverse electronic behaviors and unique edge states, revealing potential for advanced electronic applications.

Contribution

It introduces three new tetragonal SiC monolayers with distinct electronic properties and uncovers exotic edge states in T1 nanoribbons, expanding understanding of 2D SiC materials.

Findings

T1 is a semiconductor, T2 is a semimetal, T3 is metallic.

T1 nanoribbons have edge states localized on one edge.

Edge states in T1 nanoribbons have constant band gaps.

Abstract

Three single-layer tetragonal silicon carbides (SiC), termed as T1,T2 and T3, are proposed by density functional theory (DFT) computations. Although the three structures have the same topological geometry, they show versatile electronic properties from semiconductor (T1), semimetal (T2) to metal (T3).The versatile properties are originated from the rich bonds between Si and C atoms. The nanoribbons of the three SiC also show interesting electronic properties. Especially, T1 nanoribbons possess exotic edge states, where electrons only distribute on one edge's silicon or carbon atoms. The band gaps of the T1 nanoribbons are constant because of no interaction between the edge states.