Realization of multiple topological states and topological phase transitions in (4,0) carbon nanotube derivatives

TL;DR

This paper demonstrates that (4,0) carbon nanotube derivatives can host multiple topological states across 1D, 2D, and 3D forms, serving as a versatile platform for studying topological phase transitions in different dimensions.

Contribution

It introduces (4,0) carbon nanotube derivatives as a new material platform for exploring diverse topological states and phase transitions across dimensions.

Findings

Realization of 1D topological states in nanoribbons

Identification of 2D nodal-ring semimetal state

Confirmation of 3D nodal-cage semimetal state

Abstract

Exploring various topological states (TS) and topological phase transitions (TPT) has attracted great attention in condensed matter physics. However, so far, there is rarely a typical material system that can be used as a platform to study the TS and TPT as the system transforms from one-dimensional (1D) nanoribbons to two-dimensional (2D) sheet then to three-dimensional (3D) bulk. Here, we first propose that some typical TS in 1D, 2D, and 3D systems can be realized in a tight-binding (TB) model. Following the TB model and further based on first-principles electronic structure calculations, we demonstrate that the structurally stable (4,0) carbon nanotube derivatives are an ideal platform to explore the semiconductor/nodal-point semimetal states in 1D nanoribbons [1D-(4,0)-C16H4 and 1D-(4,0)-C32H4], nodal-ring semimetal state in 2D sheet [2D-(4,0)-C16], and nodal-cage semimetal state in 3D bulk [3D-(4,0)-C16]. Furthermore, we calculate the characteristic band structures and the edge/surface states of 2D-(4,0)-C16 and 3D-(4,0)-C16 to confirm their nontrivial topological properties. Our work not only provides new excellent 2D and 3D members for the topological carbon material family, but also serves as an ideal template for the study of TS and TPT with the change of system dimension.