English

On graphs isomorphic with their conduction graph

Combinatorics 2024-09-23 v1

Abstract

Conduction graphs are defined here in order to elucidate at a glance the often complicated conduction behaviour of molecular graphs as ballistic molecular conductors. The graph GCG^{\mathrm C} describes all possible conducting devices associated with a given base graph GG within the context of the Source-and-Sink-Potential model of ballistic conduction. The graphs GCG^{\mathrm C} and GG have the same vertex set, and each edge xyxy in GCG^{\mathrm C} represents a conducting device with graph GG and connections xx and yy that conducts at the Fermi level. If GCG^{\mathrm C} is isomorphic with the simple graph GG (in which case we call GG conduction-isomorphic), then GG has nullity η(G)=0\eta(G)=0 and is an ipso omni-insulator. Motivated by this, examples are provided of ipso omni-insulators of odd order, thereby answering a recent question. For η(G)=0\eta(G)=0, GCG^{\mathrm C} is obtained by 'booleanising' the inverse adjacency matrix A1(G)A^{-1}(G), to form A(GC)A(G^{\mathrm C}), i.e. by replacing all non-zero entries (A(G)1)xy(A(G)^{-1})_{xy} in the inverse by 1+δxy1+\delta_{xy} where δxy\delta_{xy} is the Kronecker delta function. Constructions of conduction-isomorphic graphs are given for the cases of GG with minimum degree equal to two or any odd integer. Moreover, it is shown that given any connected non-bipartite conduction-isomorphic graph GG, a larger conduction-isomorphic graph GG' with twice as many vertices and edges can be constructed. It is also shown that there are no 3-regular conduction-isomorphic graphs. A census of small (order 11\leq 11) connected conduction-isomorphic graphs and small (order 22\leq 22) connected conduction-isomorphic graphs with maximum degree at most three is given. For η(G)=1\eta(G)=1, it is shown that GCG^{\mathrm C} is connected if and only if GG is a nut graph (a singular graph of nullity one that has a full kernel vector).

Keywords

Cite

@article{arxiv.2409.13518,
  title  = {On graphs isomorphic with their conduction graph},
  author = {Aidan Birkinshaw and Patrick W. Fowler and Jan Goedgebeur and Jorik Jooken},
  journal= {arXiv preprint arXiv:2409.13518},
  year   = {2024}
}

Comments

Paper accepted for publication in MATCH Commun. Math. Comput. Chem.: https://doi.org/10.46793/match.93-2.379B

R2 v1 2026-06-28T18:51:25.572Z