Skip to main content
Przejdź do strony domowej Komisji Europejskiej (odnośnik otworzy się w nowym oknie)
polski pl
CORDIS - Wyniki badań wspieranych przez UE
CORDIS
Zawartość zarchiwizowana w dniu 2024-06-16

MAny-body calculations of nanoscale electronic structure and transport

Cel

The aim of my project is to calculate the electronic, structural, and dynamical transport properties of nanoscale devices, focusing on nanowires and systems used in molecular electronics. These systems will build the next generation of integrated circuitry in computers, and already find applications in light-emitting diodes and nano-scale sensors and actuators. The electronic structure of nanojunctions determines their physical, chemical, and transport properties. I will employ the GW approximation to calculate accurately the electronic structure of these systems. This is implemented very efficiently in the space-time approach developed by the group of Professor Godby, which will be used in this project.

This approach is part of a large-scale collaboration, with groups throughout Europe, on electronic excitations and theoretical spectroscopy. The program also calculates total energies, which I will use to determine ground-state properties. The structure of polymers and many other systems involve weak forces, which are beyond the reach of standard density-functional calculations. Finally, a linear-response approach has been implemented by Peter Bokes (STU. Bratislava) to calculate transport properties abinitio. I will expand this implementation, integrating the GW electronic structure, and applying it to determine the conductance of nanoscale devices. Integrated in an extensive network of researchers, my project will further the state-of-the-art in transport theory, and broaden the perspective of applications to nanoscale systems of technological interest.

Both of these avenues are essential to research in the domain, and to the mastering of new molecular technologies. The high-quality training received in the host group and the opportunities for research and dev eloping future themes will be an essential step in my scientific career.

Dziedzina nauki (EuroSciVoc)

Słowa kluczowe

Temat(-y)

Zaproszenie do składania wniosków

FP6-2004-MOBILITY-5
Zobacz inne projekty w ramach tego zaproszenia

System finansowania

EIF - Marie Curie actions-Intra-European Fellowships

Koordynator

UNIVERSITY OF YORK
Wkład UE
Brak danych
Koszt całkowity
Brak danych