Computational screen identifies six chiral carbon-boron semimetal candidates
First-principles calculations screened 972 possible C-B structures in selected chiral space groups and identified six stable candidates. For one structure, the study estimates a 31.1 K superconducting transition using the McMillan formula; it does not report synthesis of the materials.
Source review period: 2026-10-09
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The team generated CₘBₙ structures in selected hexagonal chiral space groups using Wyckoff positions. Candidates with up to 40 atoms per cell passed filters for energy, dynamical stability, metallicity, band topology and thermal stability. Six structures remained from the initial 972 in this computational workflow.
For (C₃B₂)₈, calculations indicated charge-three Weyl points, strong electron-phonon coupling and a McMillan transition-temperature estimate of 31.1 K for a Coulomb pseudopotential μ*=0.10. The estimate comes from phonon and electronic-structure calculations; no experimental critical temperature or synthesis was reported. The work offers theoretical candidates for future synthesis and characterization.
Data
Measurements reported by the study
The table reports only findings within this study’s experimental or model scope.
| Theoretical chiral C-B structures passing the stability filters | 6 | From a computational screen of 972 Wyckoff-generated candidates; not a count of synthesized samples. |
Methodology
Quantity and scope are taken from the methods and results of the first arXiv version dated 9 October 2026; they should not be generalized beyond the study.
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