DPG Phi
Verhandlungen
Verhandlungen
DPG

Regensburg 2016 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

O: Fachverband Oberflächenphysik

O 81: Oxides and Insulator Surfaces I

O 81.6: Talk

Thursday, March 10, 2016, 12:00–12:15, H4

DFT calculations of the electronic and atomic structure of metal-oxide nanowires formed on Ir(100)Florian Mittendorfer1, Pascal Ferstl2, Matthias Gubo2, Klaus Heinz2, M.Alexander Schneider2, Lutz Hammer2, and •Josef Redinger11Inst. of Applied Physics, TU Wien, Vienna, Austria — 2Lehrstuhl für Festkörperphysik, Univ. Erlangen-Nürnberg, Erlangen, Germany

Recently, a self-organized growth of quasi one-dimensional ordered cobalt oxide nanowires on the Ir(100) surface has been witnessed. By deposition of 1/3 ML Co in oxygen rich conditions nanowires of either CoO2 or CoO3 stoichiometry are formed, which bind via oxygen to the Ir substrate and leave the Co chains almost completely decoupled from the substrate. We report on DFT calculations for nanowires of CoO2 and CoO3 type as well as their Ni, Fe and Mn analogues. We find a very good agreement with experimental data concerning structural details and predict an electronic structure which is not strictly one-dimensional, despite the structural decoupling of the metal atoms from the substrate. First results of collinear calculations indicate a change of magnetism proceeding from nonmagnetic NiO2, via ferromagnetic CoO2 and FeO2 to antiferromagnetic MnO2.

100% | Mobile Layout | Deutsche Version | Contact/Imprint/Privacy
DPG-Physik > DPG-Verhandlungen > 2016 > Regensburg