Minimal model of inelastic tunneling of vibrating magnetic molecules on superconducting substrates

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10489454" target="_blank" >RIV/00216208:11320/24:10489454 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=icy-wlVgw3" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=icy-wlVgw3</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.110.235424" target="_blank" >10.1103/PhysRevB.110.235424</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Minimal model of inelastic tunneling of vibrating magnetic molecules on superconducting substrates

Popis výsledku v původním jazyce

We present an efficient method of calculating the vibrational spectrum of a magnetic molecule adsorbed on a superconductor, directly related to the first derivative of the tunneling IV curve. The work is motivated by a recent scanning-tunneling spectroscopy of lead phthalocyanine on superconducting Pb(100), showing a wealth of vibrational excitations, the number of which highly exceeds molecular vibrations typically encountered on normal metals. We design a minimal model, which represents the inelastic transitions by the spectral function of a frontier orbital of the molecule in isolation. The model allows for an exact solution; otherwise the full correlated superconducting problem would be hard to treat. The model parameters are supplied from an ab initio calculation, where the presence of the surface on the deformation of molecular geometry can be taken into account. The spectral function of the highest-occupied molecular orbital of the anionic PbPc1- shows the best agreement with the experimental reference among other molecular charge states and orbitals. The method allows us to include multiple vibrational transitions straightforwardly.

Název v anglickém jazyce

Minimal model of inelastic tunneling of vibrating magnetic molecules on superconducting substrates

Popis výsledku anglicky

We present an efficient method of calculating the vibrational spectrum of a magnetic molecule adsorbed on a superconductor, directly related to the first derivative of the tunneling IV curve. The work is motivated by a recent scanning-tunneling spectroscopy of lead phthalocyanine on superconducting Pb(100), showing a wealth of vibrational excitations, the number of which highly exceeds molecular vibrations typically encountered on normal metals. We design a minimal model, which represents the inelastic transitions by the spectral function of a frontier orbital of the molecule in isolation. The model allows for an exact solution; otherwise the full correlated superconducting problem would be hard to treat. The model parameters are supplied from an ab initio calculation, where the presence of the surface on the deformation of molecular geometry can be taken into account. The spectral function of the highest-occupied molecular orbital of the anionic PbPc1- shows the best agreement with the experimental reference among other molecular charge states and orbitals. The method allows us to include multiple vibrational transitions straightforwardly.

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/GA22-22419S" target="_blank" >GA22-22419S: Molekulární spintronika: řízení spin-orbitálních polí</a><br>

Návaznosti

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

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

110

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

235424

Kód UT WoS článku

001389544900002

EID výsledku v databázi Scopus

2-s2.0-85213721578