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

被引:52
作者
Levin, I. [1 ]
Krayzman, V. [1 ]
Woicik, J. C. [1 ]
Tkach, A. [2 ]
Vilarinho, P. M. [2 ]
机构
[1] Natl Inst Stand & Technol, Div Ceram, Gaithersburg, MD 20899 USA
[2] Univ Aveiro, Dept Ceram & Glass Engn, CICECO, P-3810193 Aveiro, Portugal
关键词
bond lengths; ceramics; crystal binding; doping; EXAFS; manganese; segregation; strontium compounds; STRONTIUM-TITANATE CERAMICS; SPECTRA;
D O I
10.1063/1.3298369
中图分类号
O59 [应用物理学];
学科分类号
摘要
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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页数:3
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共 18 条
[1]   BOND-VALENCE PARAMETERS OBTAINED FROM A SYSTEMATIC ANALYSIS OF THE INORGANIC CRYSTAL-STRUCTURE DATABASE [J].
BROWN, ID ;
ALTERMATT, D .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1985, 41 (AUG) :244-247
[2]   Ab initio and experimental pre-edge investigations of the Mn K-edge XANES in oxide-type materials -: art. no. 155109 [J].
Farges, F .
PHYSICAL REVIEW B, 2005, 71 (15)
[3]   Multiglass order and magnetoelectricity in Mn2+ doped incipient ferroelectrics [J].
Kleemann, W. ;
Bedanta, S. ;
Borisov, P. ;
Shvartsman, V. V. ;
Miga, S. ;
Dec, J. ;
Tkach, A. ;
Vilarinho, P. M. .
EUROPEAN PHYSICAL JOURNAL B, 2009, 71 (03) :407-410
[4]   Evidence for impurity-induced polar state in Sr1-xMnxTiO3 from density functional calculations [J].
Kondakova, I. V. ;
Kuzian, R. O. ;
Raymond, L. ;
Hayn, R. ;
Laguta, V. V. .
PHYSICAL REVIEW B, 2009, 79 (13)
[5]   Ab Initio Calculations of the Geometry and Electronic Structure of Point Defects in Ferroelectrics with a Perovskite Structure [J].
Kvyatkovskii, O. E. .
PHYSICS OF THE SOLID STATE, 2009, 51 (05) :982-990
[6]   Electron spin resonance investigation of Mn2+ ions and their dynamics in Mn-doped SrTiO3 [J].
Laguta, V. V. ;
Kondakova, I. V. ;
Bykov, I. P. ;
Glinchuk, M. D. ;
Tkach, A. ;
Vilarinho, P. M. ;
Jastrabik, L. .
PHYSICAL REVIEW B, 2007, 76 (05)
[7]   Direct evidence for off-centering of Mn impurity in SrTiO3 [J].
Lebedev, A. I. ;
Sluchinskaya, I. A. ;
Erko, A. ;
Kozlovskii, V. F. .
JETP LETTERS, 2009, 89 (09) :457-460
[8]   Dielectric relaxation in doped SrTiO3:: Transition from classical thermal activation to quantum tunnelling -: art. no. 056102 [J].
Lemanov, VV ;
Sotnikov, AV ;
Smirnova, EP ;
Weihnacht, M .
JOURNAL OF APPLIED PHYSICS, 2005, 98 (05)
[9]   ATHENA, ARTEMIS, HEPHAESTUS:: data analysis for X-ray absorption spectroscopy using IFEFFIT [J].
Ravel, B ;
Newville, M .
JOURNAL OF SYNCHROTRON RADIATION, 2005, 12 :537-541
[10]   Dielectric properties of Mn doped SrTiO3 [J].
Savinov, M. ;
Trepakov, V. A. ;
Syrnikov, P. P. ;
Zelezny, V. ;
Pokorny, J. ;
Dejneka, A. ;
Jastrabik, L. ;
Galinetto, P. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (09)