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


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 ABO(3) perovskite lattice with a Mn-O bond distance of 1.902 A degrees (compared to 1.953 A degrees 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 (approximate to 0.77 A degrees) 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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Levin, I; Krayzman, V; Woicik, JC; Tkach, A; Vilarinho, PM

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Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886.

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