Abstract
A fully analytical model is presented for ballistic conduction in a multi-lead device that is based on a π-conjugated carbon framework attached to a single source lead and several sink leads. This source-and-multiple-sink potential (SMSP) model is rooted in the Ernzerhof source-and-sink potential (SSP) approach and specifies transmission in terms of combinations of structural polynomials based on the molecular graph. The simplicity of the model allows insight into many-lead devices in terms of constituent two-lead devices, description of conduction in the multi-lead device in terms of structural polynomials, molecular orbital channels, and selection rules for active and inert leads and orbitals. In the wide-band limit, transmission can be expressed entirely in terms of characteristic polynomials of vertex-deleted graphs. As limiting cases of maximum connection, complete symmetric devices (CSD) and complete bipartite symmetric devices (CBSD) are defined and solved analytically. These devices have vanishing lead-lead interference effects. Illustrative calculations of transmission curves for model small-molecule systems are presented and selection rules are identified.
Highlights
A fully analytical model is presented for ballistic conduction in a multi-lead device that is based on a π-conjugated carbon framework attached to a single source lead and several sink leads
The methodology is identical to that in our earlier work [70] for the two-lead sourceand-sink potential (SSP) model, where it is described in more detail
Working equations have been derived for an extended version of the SSP model for calculation of ballistic currents flowing through molecular conductors under a potential difference
Summary
A fully analytical model is presented for ballistic conduction in a multi-lead device that is based on a π-conjugated carbon framework attached to a single source lead and several sink leads This source-and-multiple-sink potential (SMSP) model is rooted in the Ernzerhof sourceand-sink potential (SSP) approach and specifies transmission in terms of combinations of structural polynomials based on the molecular graph. The SSP approach replaces the doubly infinite system of molecule and leads by the finite system of a molecule dressed with a source and a sink pseudo atom equipped with complex potentials, in the tight-binding model replacing an (n + ∞) × (n + ∞) matrix problem by an (n + 2) × (n + 2) problem [40,55]. These ideas have their roots in earlier work [56,57] and have parallels in approaches such as SSM [58] and CAP [59]
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
