Vibrational effects in nonequilibrium electronic transport through nanosystems
Project goals
In this project we will develop a formalism based on the non-equilibrium Green functions for the perturbative description of various inelastic electron tunneling spectroscopy (IETS) features such as formulation in terms of scattering states, IETS for molecules with negative interference including the overtones signal, and consistent description of the IETS line-width. Furthermore, we will use the path-integral Monte Carlo and recently developed memory function formalism for the numerical calculation of structural as well as transport properties of non-equilibrium versions of Anderson-Holstein and Peierls instability models.
Keywords
nonequilibrium quantum transportelectron-vibrational couplinginelastic-electron-tunneling-spectroscopyAnderson-Holstein modelQuantum Monte Carlobistabilityquantum phase transitions
Public support
Provider
Czech Science Foundation
Programme
Standard projects
Call for proposals
Standardní projekty 20 (SGA0201600001)
Main participants
Univerzita Karlova / Matematicko-fyzikální fakulta
Contest type
VS - Public tender
Contract ID
16-19640S
Alternative language
Project name in Czech
Vibrační efekty v nerovnovážném elektronovém transportu přes nanosystémy
Annotation in Czech
V tomto projektu vyvineme formalismus založený na nerovnovážných Greenových funkcích pro poruchový popis rozličných aspektů neelastické elektronové tunelovací spektroskopie jako například formulace pomocí rozptylových stavů, spektroskopie pro molekuly s destruktivní interferencí včetně signálu na sčítacích frekvencích a konzistentní zahrnutí šířky čáry. Dále za použití metody výpočtu dráhového integrálu Monte Carlo integrací a s nedávno vyvinutým formalismem paměťové funkce numericky spočteme strukturální a transportní vlastnosti nerovnovážných verzí modelů Andersona a Holsteina a Peierlsovy nestability.
Scientific branches
R&D category
ZV - Basic research
CEP classification - main branch
BE - Theoretical physics
CEP - secondary branch
BM - Solid-state physics and magnetism
CEP - another secondary branch
—
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Completed project evaluation
Provider evaluation
U - Uspěl podle zadání (s publikovanými či patentovanými výsledky atd.)
Project results evaluation
The research team was significantly modified. Six papers were published during the first two years of the project, while in the last there was none. While the part of the project dealing with analytical perturbative methods can be considered as successful, the other part dealing with numerical Qauntum Monte Carlo methods has not been fully finished.
Solution timeline
Realization period - beginning
Jan 1, 2016
Realization period - end
Dec 31, 2018
Project status
U - Finished project
Latest support payment
Apr 26, 2018
Data delivery to CEP
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data delivery code
CEP19-GA0-GA-U/01:1
Data delivery date
Jun 12, 2019
Finance
Total approved costs
5,333 thou. CZK
Public financial support
4,462 thou. CZK
Other public sources
871 thou. CZK
Non public and foreign sources
0 thou. CZK
Basic information
Recognised costs
5 333 CZK thou.
Public support
4 462 CZK thou.
83%
Provider
Czech Science Foundation
CEP
BE - Theoretical physics
Solution period
01. 01. 2016 - 31. 12. 2018