Exact analytic formula for conductance predicting a tunable Sommerfeld-Arrhenius thermal transition within a single-step tunneling mechanism in molecular junctions subject to mechanical stretching

We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model parameter values. On this basis, we show that the single-step...

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Published in	arXiv.org
Main Author	Baldea, Ioan
Format	Paper Journal Article
Language	English
Published	Ithaca Cornell University Library, arXiv.org 22.10.2022
Subjects	Charge transport Diimide Energy levels Physics - Chemical Physics Physics - Materials Science Physics - Mesoscale and Nanoscale Physics Stretching Tunnel junctions
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ISSN	2331-8422
DOI	10.48550/arxiv.2210.12544

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Abstract	We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model parameter values. On this basis, we show that the single-step tunneling mechanism is compatible with a continuous thermal transition from a weakly $T$-dependent $G$ at low $T$ (Sommerfeld regime) to a nearly exponential $1/T$-dependent $G$ at high $T$ (Arrhenius-like regime). We predict that this Sommerfeld-Arrhenius transition can be observed in real molecular junctions % (e.g., based on perylene diimide) and can be continuously tuned, e.g., via mechanical stretching.
AbstractList	Adv. Theor. Simul. 5(7), 202200158 (2022) We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model parameter values. On this basis, we show that the single-step tunneling mechanism is compatible with a continuous thermal transition from a weakly $T$-dependent $G$ at low $T$ (Sommerfeld regime) to a nearly exponential $1/T$-dependent $G$ at high $T$ (Arrhenius-like regime). We predict that this Sommerfeld-Arrhenius transition can be observed in real molecular junctions % (e.g., based on perylene diimide) and can be continuously tuned, e.g., via mechanical stretching. We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model parameter values. On this basis, we show that the single-step tunneling mechanism is compatible with a continuous thermal transition from a weakly $T$-dependent $G$ at low $T$ (Sommerfeld regime) to a nearly exponential $1/T$-dependent $G$ at high $T$ (Arrhenius-like regime). We predict that this Sommerfeld-Arrhenius transition can be observed in real molecular junctions % (e.g., based on perylene diimide) and can be continuously tuned, e.g., via mechanical stretching.
Author	Baldea, Ioan
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Title	Exact analytic formula for conductance predicting a tunable Sommerfeld-Arrhenius thermal transition within a single-step tunneling mechanism in molecular junctions subject to mechanical stretching
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Abstract	We show that the conductance \(G\) of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature \(T\) and model parameter values. On this basis, we show that the single-step tunneling mechanism is compatible with a continuous thermal transition from a weakly \(T\)-dependent \(G\) at low \(T\) (Sommerfeld regime) to a nearly exponential \(1/T\)-dependent \(G\) at high \(T\) (Arrhenius-like regime). We predict that this Sommerfeld-Arrhenius transition can be observed in real molecular junctions % (e.g., based on perylene diimide) and can be continuously tuned, e.g., via mechanical stretching.
AbstractList	Adv. Theor. Simul. 5(7), 202200158 (2022) We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model parameter values. On this basis, we show that the single-step tunneling mechanism is compatible with a continuous thermal transition from a weakly $T$-dependent $G$ at low $T$ (Sommerfeld regime) to a nearly exponential $1/T$-dependent $G$ at high $T$ (Arrhenius-like regime). We predict that this Sommerfeld-Arrhenius transition can be observed in real molecular junctions % (e.g., based on perylene diimide) and can be continuously tuned, e.g., via mechanical stretching. We show that the conductance \(G\) of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature \(T\) and model parameter values. On this basis, we show that the single-step tunneling mechanism is compatible with a continuous thermal transition from a weakly \(T\)-dependent \(G\) at low \(T\) (Sommerfeld regime) to a nearly exponential \(1/T\)-dependent \(G\) at high \(T\) (Arrhenius-like regime). We predict that this Sommerfeld-Arrhenius transition can be observed in real molecular junctions % (e.g., based on perylene diimide) and can be continuously tuned, e.g., via mechanical stretching.
Author	Baldea, Ioan
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SubjectTerms	Charge transport Diimide Energy levels Physics - Chemical Physics Physics - Materials Science Physics - Mesoscale and Nanoscale Physics Stretching Tunnel junctions
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Title	Exact analytic formula for conductance predicting a tunable Sommerfeld-Arrhenius thermal transition within a single-step tunneling mechanism in molecular junctions subject to mechanical stretching
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