Dresden 2009 – wissenschaftliches Programm
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DF: Fachverband Dielektrische Festkörper
DF 14: Photonic Dielectrics III
DF 14.8: Vortrag
Donnerstag, 26. März 2009, 12:40–13:00, WIL A317
Study of vacancies and extended defects in SrTiO3
— •M. Zschornak1,2, E. Gutmann2, H. Stöcker2, I. Shakhverdova2, T. Weißbach2, D.C. Meyer2, and S. Gemming1 — 1Institute of Ion Beam Physics and Materials Research, FZ Dresden-Rossendorf, 01328 Dresden, Germany — 2Institute of Structural Physics, TU-Dresden, 01062 Dresden, Germany
SrTiO3 is an oxide crystallizing with cubic perovskite-type of structure that exhibits a high tunability of dielectric, electric, mechanical and optical properties by means of defects. Apart from dopants, also intrinsic oxygen vacancies or ordered stacking faults, e.g. Ruddlesden-Popper (RP) phases SrO(SrTiO3)n, may influence these properties. We have investigated the structural stability, electronic properties and surface energies of such RP phases up to n=5 by means of density-functional theory. Further, we have theoretically verified an anisotropic reversible elastic softening along an O-deficient ⟨100⟩ direction recently found in nano-indentation of SrTiO3 under influence of an electric field.