Regensburg 2016 – wissenschaftliches Programm

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

HL: Fachverband Halbleiterphysik

HL 24: Carbon-based Nanostructures

HL 24.4: Vortrag

Dienstag, 8. März 2016, 10:15–10:30, H14

Do clathrate structures exist at carbon? — •Conrad Schuster and Miguel Marques — Martin-Luther-Universität Halle-Wittenberg

For doped carbon clathrates many interesting properties have been proposed like super conductivity, super hardness or application as a semiconductor. Although this interest and the ability of silicon to form clathrate structures, no such material could have been produced yet.

Via DFT calculations with DFTB+ and VASP and minima hopping code we performed ab initio calculations on the stability of clathrates of carbon to show why they could not be found in experiments yet.