Electronic structure difference of stoichiometric and off-stoichiometric SBT

O. M. Ozkendir () and M. S. Bozgeyik

The European Physical Journal B: Condensed Matter and Complex Systems, 2010, vol. 76, issue 2, 203-208

Abstract: X-ray absorption near-edge structure (XANES) calculations of stoichiometric SrBi 2 Ta 2 O 9 (SBT) and off-stoichiometric Sr 0.8 Bi 2.2 Ta 2 O 9 (offstoich-SBT) with space group of A2 1 am have been performed using FEFF 8.2 code, which is based on real space multiple scattering approach. Due to the nature of layered structure of SBT any change in atomic concentration of crystal may cause change in the electronic and magnetic properties. It was observed that lower concentration of Strontium (Sr) lead to an energy shift about 2 eV to higher energies due to the weaker interaction with valency levels of Sr and Oxygen atoms. On the contrary, regarding to offstoich-SBT as a result of higher concentration, Bismuth (Bi) atoms locate closer distances to Oxygen atoms. Hence, Bismuth have energy shifts about 16 eV to lower energy side in M-edge. Such properties lead to change in electronic and ferroelectric properties of SBT. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2010

Date: 2010
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DOI: 10.1140/epjb/e2010-00186-2

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