Dresden 2011 – wissenschaftliches Programm
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KR: Fachgruppe Kristallographie
KR 7: Crystallography in Materials Science (jointly with DF)
KR 7.5: Vortrag
Donnerstag, 17. März 2011, 16:15–16:30, HSZ 101
Local electronic structure of Ruddlesden-Popper films - a combined DFT and ELNES study — Thomas Riedl1, 2, Thomas Gemming2, Torsten Weissbach3, 4, Gotthard Seifert4, Emanuel Gutmann5, Matthias Zschornak6, 7, Dirk C. Meyer5, 6, and •Sibylle Gemming7 — 1Werkstoffwissenschaft, TU Dresden, D-01062 Dresden — 2IFW Dresden, PF 270116, D-01171 Dresden — 3Theo. Physik, TU-BA Freiberg, D-09596 Freiberg — 4Phys. Chemie, TU Dresden, D-01062 Dresden — 5Strukturphysik, TU Dresden, D-01062 Dresden — 6Exp. Physik, TU BA Freiberg, D-09596 Freiberg — 7HZ Dresden-Rossendorf, PF 510119, D-01314 Dresden
Ternary oxides with the composition AO(ABO3)n, the Ruddlesden-Popper (RP) phases, and derived quaternary phases are versatile materials with complex structure-property relationships; due to their unusual conductivity properties such RP phases have attracted recent interest as materials for solid-oxide fuel cells or as thermoelectric. The present study focuses on the parent phases with A = Sr and B = Ti. Electron energy-loss near-edge fine structures of the SrO(SrTiO3)n=1 Ruddlesden-Popper system and of the reference compounds SrTiO3 and SrO are analyzed by comparison with calculations. The fine structures of sol-gel-grown RP films have been experimentally recorded. All-electron density-functional calculations indicate that the appearance and shape of the experimental O-K and Ti-L2,3 fine structure features result from the crystallography-dependent electronic structure of the investigated oxides, which - already without further modification - display technologically interesting dielectric and lattice properties.