Realization of multiple topological states and topological phase transitions in (4,0) carbon nanotube derivatives
arxiv(2023)
摘要
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.
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