English

Second-order topology in two-dimensional azulenoid kekulene carbon lattices

Materials Science 2026-04-24 v2 Computational Physics

Abstract

The discovery of higher-order topological insulator (HOTI) has established a new paradigm for understanding symmetry-constrained boundary electronic states. Here, based on first-principles calculations, we demonstrate the emergence of HOTI phase in organic lattices of two-dimensional azulenoid-kekulene-type carbon allotropes, namely AKC-[3,3] and AKC-[6,0]. Enabled by the C6C_6 rotational symmetry, the nontrivial bulk topology is confirmed through the topological invariant and fractionally quantized corner charge, giving {[M2(I)],[K2(3)]}\{[M^{(I)}_{2}],[K^{(3)}_{2}]\} = {0,2}\{0,2\} and Qcorner=e/3Q_{\mathrm{corner}} = e/3, respectively, accompanied by the emergence of exotic corner states in nanoflakes. Notably, the structural modifications are explored, revealing that in the derived structure PAK-[6,0], whose corner-localized states are preserved, highlighting the robustness of the higher-order topological phase. These findings highlight azulenoid-kekulene-based carbon allotropes as a promising platform to explore the interplay between structural design, crystalline symmetry, and higher-order topological boundary responses in two dimensional carbon systems.

Cite

@article{arxiv.2604.20399,
  title  = {Second-order topology in two-dimensional azulenoid kekulene carbon lattices},
  author = {Xiaorong Zou and Hyeon Suk Shin and Chang-Jong Kang and Baibiao Huang and Yanmei Zang and Ying Dai and Chengwang Niu and Chang Woo Myung},
  journal= {arXiv preprint arXiv:2604.20399},
  year   = {2026}
}