Symmetry-constrained coexistence of charge-three and charge-one Weyl points in nonmagnetic crystals
Abstract
High-charge Weyl semimetals (WSMs), particularly those hosting charge-three Weyl point (C-3 WPs), have attracted considerable interest owing to their unconventional topological properties and enhanced boundary phenomena. However, ideal C-3 WSMs remain rare, and the symmetry-constrained coexistence of charge-three and charge-one Weyl point (C-1 WPs) in nonmagnetic crystals remains largely unexplored. Here, we investigate a representative eight-node Weyl configuration, consisting of two C-3 WPs and six C-1 WPs with opposite chirality, corresponding to two identical {3,−1,−1,−1} irreducible Weyl molecules. By combining topological charge conservation with space-group symmetry analysis, we systematically classify all 230 space groups and identify 12 and 23 candidate groups without and with spin--orbit coupling (SOC), respectively. First-principles calculations without SOC reveal that the boron allotropes TBR-B48 and chiral OBD-B48 realize this configuration, hosting hourglass-type and non-hourglass-type C-3 WPs, respectively. Surface-state calculations reveal six Fermi-arc branches at the shared projection of the charge-three pair and three at each individual projection. Reversing the structural chirality of OBD-B48 reverses the signs of all Weyl charges, establishing a direct correspondence between crystal and momentum-space chirality. Furthermore, breaking the protecting C6 symmetry in TBR-B48 splits each C-3 WP into three C-1 WPs and reconstructs the surface Fermi arcs. Our work establishes symmetry-based guidelines for designing and searching for nonmagnetic WSMs hosting charge-three and charge-one Weyl-point coexistence.
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BibTeX
@misc{xue2026symmetryconstrained,
title = {{Symmetry-constrained coexistence of charge-three and charge-one Weyl points in nonmagnetic crystals}},
author = {Ze-Xin Xue and Ke-Xin Pang and Yun-Yun Bai and Yanfeng Ge and Yan Gao},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2610.17071},
eprint = {2610.17071},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2610.17071},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Symmetry-constrained coexistence of charge-three and charge-one Weyl points in nonmagnetic crystals
AU - Ze-Xin Xue
AU - Ke-Xin Pang
AU - Yun-Yun Bai
AU - Yanfeng Ge
AU - Yan Gao
PY - 2026
DA - 2026/10/12
PB - arXiv
DO - 10.48550/arxiv.2610.17071
UR - https://arxiv.org/abs/2610.17071
AB - High-charge Weyl semimetals (WSMs), particularly those hosting charge-three Weyl point (C-3 WPs), have attracted considerable interest owing to their unconventional topological properties and enhanced boundary phenomena. However, ideal C-3 WSMs remain rare, and the symmetry-constrained coexistence of charge-three and charge-one Weyl point (C-1 WPs) in nonmagnetic crystals remains largely unexplored. Here, we investigate a representative eight-node Weyl configuration, consisting of two C-3 WPs and six C-1 WPs with opposite chirality, corresponding to two identical {3,−1,−1,−1} irreducible Weyl molecules. By combining topological charge conservation with space-group symmetry analysis, we systematically classify all 230 space groups and identify 12 and 23 candidate groups without and with spin--orbit coupling (SOC), respectively. First-principles calculations without SOC reveal that the boron allotropes TBR-B_48 and chiral OBD-B_48 realize this configuration, hosting hourglass-type and non-hourglass-type C-3 WPs, respectively. Surface-state calculations reveal six Fermi-arc branches at the shared projection of the charge-three pair and three at each individual projection. Reversing the structural chirality of OBD-B_48 reverses the signs of all Weyl charges, establishing a direct correspondence between crystal and momentum-space chirality. Furthermore, breaking the protecting C_6 symmetry in TBR-B_48 splits each C-3 WP into three C-1 WPs and reconstructs the surface Fermi arcs. Our work establishes symmetry-based guidelines for designing and searching for nonmagnetic WSMs hosting charge-three and charge-one Weyl-point coexistence.
ER -