Dresden 2011 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

DS: Fachverband Dünne Schichten

DS 43: Poster II: Thin Film Chalcogenide Photovoltaics; Thermoelectric Materials, Thin Films, and Nanostructures

DS 43.9: Poster

Mittwoch, 16. März 2011, 15:00–17:30, P2

Ab initio investigations of inter atomic force constants and phonon dispersion relations at ZnO interfaces — •Michael Bachmann, Saeideh Edalati Boostan, and Christian Heiliger — I. Physikalisches Institut, Justus Liebig University Giessen, D-35392, Germany

ZnO/ZnS nanostructures are a promising material for thermoelectric applications due to the expectation of a strong phonon scattering at the interface but a high transmission of electrons through the interface. Since the heat conductance due to phonons reduces the efficiency of thermoelectric elements the understanding of phonon transport across interfaces is an important feature to improve thermoelectric devices. We present ab initio calculations of the inter atomic force constants for ZnO/ZnO interfaces. From these force constants we calculate the dynamic matrix and the dispersion relation as well as the phonon density of states. These calculations help us to first understand the thermal transport in sputtered ZnO films which is the basis for further investigations of the ZnO/ZnS nanostructure.