A general algorithm for determining the conductivity zeros in large molecular nanostructures: applications to rectangular graphene sheets

We propose an algorithm for determining the zeros of the electric conductivity in large molecular nanonstructures such as graphene sheets. To this end, we employ the inverse graph method, whereby non-zeros of the Green’s functions are represented graphically by a segment connecting two atomic sites,...

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Bibliographic Details
Published inJournal of physics. Condensed matter Vol. 37; no. 23; pp. 235301 - 235310
Main Authors Niţă, M, Ţolea, M, Marinescu, D C
Format Journal Article
LanguageEnglish
Published England IOP Publishing 09.06.2025
Subjects
conductance zero
graphene sheets
molecular electronics
conductance zero
graphene sheets
molecular electronics
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ISSN0953-8984
1361-648X
1361-648X
DOI10.1088/1361-648X/add77f

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Summary:We propose an algorithm for determining the zeros of the electric conductivity in large molecular nanonstructures such as graphene sheets. To this end, we employ the inverse graph method, whereby non-zeros of the Green’s functions are represented graphically by a segment connecting two atomic sites, to visually signal the existence of a conductance zero as a line that is missing. In rectangular graphene structures the topological properties of the inverse graph determine the existence of two types of Green’s function zeros that correspond to absolute conductance cancellations with distinct behavior in the presence of external disorder. We discuss these findings and their potential applications in some particular cases.
Bibliography:JPCM-124751.R2
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content type line 23
ISSN:0953-8984
1361-648X
1361-648X
DOI:10.1088/1361-648X/add77f