Crystal Research and Technology
Cryst. Res. Technol. 34 (1999) 715 - Abstract -

M. Kozielski, A. Jezierski*, D. Kasprowicz, M. Szybowicz

Institute of Physics, Poznan University of Technology, Poland
*Institute of Molecular Physics, Polish Academy of Sciences, Poznan, Poland

Band Structure of SrLaGaO3+δ and SrLaAlO3+δ

The influence of oxygen on the electronic structure of strontium lanthanum gallate SrLaGaO3+δ (SLG) and strontium lanthanum alluminate SrLaAlO3+δ (SLA) crystals is presented. The band structures of SLA and SLG crystals were calculated by ab-initio tight-binding linear muffin tin orbital (TB LMTO) method within an atomic sphere approximation. The self-consistent band calculations indicate that SrLaGaO4, SrLaAlO4 and SrLaAlO3 are semiconductors, while SrLaGaO3, SrLaGaO3+δ and SrLaAlO3+δ for δ = 2 and 3 have the metallic character.

Keywords: oxides, point defects, band structure


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