Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs.

ABSTRACT: Post-graphite in cold-compression [Mao et al. (2003). Science 302, 425-427] has attracted widespread research interest in condensed matter physics. Subsequently, many low-energy carbon phases, such as M-carbon, W-carbon and Z-carbon, have been proposed as structural candidates. Based on graph theory, we found that these 4-coordinated post-graphite candidates can not only be decomposed into 3-regular graphitic graphs but also yield (2+1)-regular graphs in a non-graphitic manner from different decomposition directions. This inspires a general idea of generating 3D 4-coordinate networks based on 2D (2+1)-regular bipartite-like graphs, which can be efficiently generated by a random method combined with group and graph theory (RG2). Associated with such a general graph-based method, a large num

SUBMITTER: Wei Y 

PROVIDER: S-EPMC12403172 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature