X-ray absorption fine structure studies of Mn coordination in doped perovskite SrTiO3

Levin, I.; Krayzman, V.; Woicik, J. C.; Tkach, A.; Vilarinho, P. M.
February 2010
Applied Physics Letters;2/1/2010, Vol. 96 Issue 5, p052904
Academic Journal
The coordination of Mn in doped SrTiO3 ceramics having nominal compositions SrTi0.98Mn0.02O3 and Sr0.98Mn0.02TiO3 was analyzed using x-ray absorption fine structure (XAFS) measurements. As expected, Mn4+ substitution for Ti4+ leads to Mn occupancy of the octahedral B-sites of ABO3 perovskite lattice with a Mn–O bond distance of 1.902 Å (compared to 1.953 Å for Ti–O) and no significant local distortions around the Mn atoms. In contrast, for the composition Sr0.98Mn0.02TiO3, Mn segregates to both the A-sites (as Mn2+) and the B-sites (predominantly as Mn4+). Extended XAFS confirms strong (≈0.77 Å) displacements of Mn2+ cations off the ideal A-site positions along <001> directions with a significant distortion of several coordination shells around the dopant atoms.


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