Mechanical force-induced manipulation of electronic conductance in a spin-crossover complex: a simple approach to molecular electronics

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00531437" target="_blank" >RIV/61388963:_____/20:00531437 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989592:15310/20:73604017

Výsledek na webu

<a href="https://doi.org/10.1039/D0NA00285B" target="_blank" >https://doi.org/10.1039/D0NA00285B</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d0na00285b" target="_blank" >10.1039/d0na00285b</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Mechanical force-induced manipulation of electronic conductance in a spin-crossover complex: a simple approach to molecular electronics

Popis výsledku v původním jazyce

The atomic-scale technological sophistication from the last half-decade provides new avenues for the atom-by-atom fabrication of nanostructures with extraordinary precision. This urges the appraisal of the fabrication scheme layout for a modular nanoelectronic device based on an individual molecular complex. The mechanical force-induced distortion to the metal coordination sphere triggers a low-spin (LS) to high-spin (HS) electronic transition in the complex. The controlled structural distortions (relative to a specific bond-angle) are deemed to be the switching parameter for the observed spin-transitions. Mechanical stretching is the key to engineering a spin-state switch in the proposed molecular device. The spin-dependent reversible variation in the electronic conductance concurrent to the unique spin-states can be understood from the state-of-the-art Nonequilibrium Green's Function (NEGF) calculations. Combined with NEGF calculations, the DFT study further provides a qualitative perception of the electronic conductance in the two-terminal device architecture. From the transport calculations, there is also evidence of considerable fluctuation in the spin-dependent electronic conductance at the molecular junction with relative variations in the scattering limit. Subsequently, the present study shows significant advances in the transmission probabilities for the high-spin state of the Fe(II) complex. The results empower the progress of nanoelectronics at the single molecule level.

Název v anglickém jazyce

Mechanical force-induced manipulation of electronic conductance in a spin-crossover complex: a simple approach to molecular electronics

Popis výsledku anglicky

The atomic-scale technological sophistication from the last half-decade provides new avenues for the atom-by-atom fabrication of nanostructures with extraordinary precision. This urges the appraisal of the fabrication scheme layout for a modular nanoelectronic device based on an individual molecular complex. The mechanical force-induced distortion to the metal coordination sphere triggers a low-spin (LS) to high-spin (HS) electronic transition in the complex. The controlled structural distortions (relative to a specific bond-angle) are deemed to be the switching parameter for the observed spin-transitions. Mechanical stretching is the key to engineering a spin-state switch in the proposed molecular device. The spin-dependent reversible variation in the electronic conductance concurrent to the unique spin-states can be understood from the state-of-the-art Nonequilibrium Green's Function (NEGF) calculations. Combined with NEGF calculations, the DFT study further provides a qualitative perception of the electronic conductance in the two-terminal device architecture. From the transport calculations, there is also evidence of considerable fluctuation in the spin-dependent electronic conductance at the molecular junction with relative variations in the scattering limit. Subsequently, the present study shows significant advances in the transmission probabilities for the high-spin state of the Fe(II) complex. The results empower the progress of nanoelectronics at the single molecule level.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

NANOSCALE ADVANCES

ISSN

2516-0230

e-ISSN

—

Svazek periodika

2

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

2907-2913

Kód UT WoS článku

000548194900032

EID výsledku v databázi Scopus

2-s2.0-85088458649