Unconventional Electromechanical Response in Ferrocene Assisted Gold Atomic Chain

Fuente: arXiv
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Main Authors: Pabi, Biswajit, Marek, Štěpán, Klein, Tal, Thakur, Arunabha, Korytár, Richard, Pal, Atindra Nath
Format: Preprint
Published: 2025
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author Pabi, Biswajit
Marek, Štěpán
Klein, Tal
Thakur, Arunabha
Korytár, Richard
Pal, Atindra Nath
author_facet Pabi, Biswajit
Marek, Štěpán
Klein, Tal
Thakur, Arunabha
Korytár, Richard
Pal, Atindra Nath
contents Atomically thin metallic chains serve as pivotal systems for studying quantum transport, with their conductance strongly linked to the orbital picture. Here, we report a non-monotonic electro-mechanical response in a gold-ferrocene junction, characterized by an unexpected conductance increase over a factor of ten upon stretching. This response is detected in the formation of ferrocene-assisted atomic gold chain in a mechanically controllable break junction at a cryogenic temperature. DFT based calculations show that tilting of molecules inside the chain modifies the orbital overlap and the transmission spectra, leading to such non-monotonic conductance evolution with stretching. This behavior, unlike typical flat conductance plateaus observed in metal atomic chains, pinpoints the unique role of conformational rearrangements during chain elongation. Our findings provide a deeper understanding of the role of orbital hybridization in transport properties and offer new opportunities for designing nanoscale devices with tailored electro-mechanical characteristics.
format Preprint
id arxiv_https___arxiv_org_abs_2509_02264
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Unconventional Electromechanical Response in Ferrocene Assisted Gold Atomic Chain
Pabi, Biswajit
Marek, Štěpán
Klein, Tal
Thakur, Arunabha
Korytár, Richard
Pal, Atindra Nath
Mesoscale and Nanoscale Physics
Atomically thin metallic chains serve as pivotal systems for studying quantum transport, with their conductance strongly linked to the orbital picture. Here, we report a non-monotonic electro-mechanical response in a gold-ferrocene junction, characterized by an unexpected conductance increase over a factor of ten upon stretching. This response is detected in the formation of ferrocene-assisted atomic gold chain in a mechanically controllable break junction at a cryogenic temperature. DFT based calculations show that tilting of molecules inside the chain modifies the orbital overlap and the transmission spectra, leading to such non-monotonic conductance evolution with stretching. This behavior, unlike typical flat conductance plateaus observed in metal atomic chains, pinpoints the unique role of conformational rearrangements during chain elongation. Our findings provide a deeper understanding of the role of orbital hybridization in transport properties and offer new opportunities for designing nanoscale devices with tailored electro-mechanical characteristics.
title Unconventional Electromechanical Response in Ferrocene Assisted Gold Atomic Chain
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2509.02264