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O: Fachverband Oberflächenphysik

O 30: Focussed session: Transparent conductive oxides II (jointly with HL, DS)

O 30.4: Vortrag

Dienstag, 15. März 2011, 12:45–13:00, WIL B122

(contribution withdrawn) Thermodynamic stability, stoichiometry and electronic structure of bcc-In₂O₃ surfaces — •Peter Agoston and Karsten Albe — TU Darmstadt, Petersenstr. 32, 64287 Darmstadt

The thermodynamic stability of all experimentally observed low index surfaces of bcc-indium oxide (In₂O₃) have been investigated by means of density functional theory calculations. The effect of a changing environment has been studies as well as the influence of hydrogen and water. It is found that the (001) surfaces have the most complex behavior. For this surface additionally the effects due to dopants (Sn) as well as the in-plane lattice strain has been studied. Finally, scanning tunneling microscopy images are presented and discussed in the light of previous experiments.