Vibrational Contributions to Intrinsic Friction in Charged Transition Metal Dichalcogenides

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F17%3A00312522" target="_blank" >RIV/68407700:21230/17:00312522 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1039/c7nr04034b" target="_blank" >http://dx.doi.org/10.1039/c7nr04034b</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c7nr04034b" target="_blank" >10.1039/c7nr04034b</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Vibrational Contributions to Intrinsic Friction in Charged Transition Metal Dichalcogenides

Popis výsledku v původním jazyce

Vibrational contributions to intrinsic friction in layered transition metal dichalcogenides (TMD) have been studied at different charge content. We find that any deviation from charge neutrality produces complex rearrangements of atomic positions and electronic distribution, and consequent phase transitions. Upon charge injection, cell volume expansion is observed, due to charge accumulation along an axis orthogonal to the layer planes. Such accumulation is accounted by the d3z2-r2 orbital of the transition metal and it is regulated by the Pt2g,eg orbital polarization. The latter, in turn, determines the frequency of the phonon modes related to the intrisic friction through non-trivial electro-vibrational coupling. The bond covalency and atom pair cophonicity can be exploited as a knob to control such coupling, ruling subtle charge flows through atomic orbitals hence determining vibrational frequencies at specific charge content. The results can be exploited to finely tune vibrational contributions to intrinsic friction in TMD structures, in order to facilitate assembly and operation of nanoelectromechanical systems and, ultimately, to govern electronic charge distribution in TMD-based devices for applications beyond nanoscale tribology.

Název v anglickém jazyce

Vibrational Contributions to Intrinsic Friction in Charged Transition Metal Dichalcogenides

Popis výsledku anglicky

Vibrational contributions to intrinsic friction in layered transition metal dichalcogenides (TMD) have been studied at different charge content. We find that any deviation from charge neutrality produces complex rearrangements of atomic positions and electronic distribution, and consequent phase transitions. Upon charge injection, cell volume expansion is observed, due to charge accumulation along an axis orthogonal to the layer planes. Such accumulation is accounted by the d3z2-r2 orbital of the transition metal and it is regulated by the Pt2g,eg orbital polarization. The latter, in turn, determines the frequency of the phonon modes related to the intrisic friction through non-trivial electro-vibrational coupling. The bond covalency and atom pair cophonicity can be exploited as a knob to control such coupling, ruling subtle charge flows through atomic orbitals hence determining vibrational frequencies at specific charge content. The results can be exploited to finely tune vibrational contributions to intrinsic friction in TMD structures, in order to facilitate assembly and operation of nanoelectromechanical systems and, ultimately, to govern electronic charge distribution in TMD-based devices for applications beyond nanoscale tribology.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GJ17-24164Y" target="_blank" >GJ17-24164Y: Strategie pro exfoliaci dichalkogenidů přechodových kovů v nanoměřítku</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Nanoscale

ISSN

2040-3364

e-ISSN

2040-3372

Svazek periodika

9

Číslo periodika v rámci svazku

32

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

11488-11497

Kód UT WoS článku

000407812000014

EID výsledku v databázi Scopus

2-s2.0-85027569873