Mechanisms of the effect of dopants and P(O-2) on the improper ferroelastic phase transition in SrTiO3
authors Tkach, A; Vilarinho, PM; Kholkin, AL; Reaney, IM; Pokorny, J; Petzelt, J
nationality International
journal CHEMISTRY OF MATERIALS
keywords STRONTIUM-TITANATE CERAMICS; SRTIO3-SRSC1/2TA1/2O3 SOLID-SOLUTIONS; ELECTRON-PARAMAGNETIC-RESONANCE; DIELECTRIC-RELAXATION; X-RAY; PEROVSKITES; SRTIO3-SRMG1/3NB2/3O3; BEHAVIOR
abstract Perovskite-structured SrTiO3 undergoes a cubic (Pm3m) to tetragonal (I4/mcm) transition at similar to 108 K (T-a) associated with rotations of the O octahedra in the antiphase around the [001] direction. This phase transition gives rise to modes at the R point of the Brillouin zone in the Raman spectra and superlattice reflections at 1/2(odd-odd-odd}. The effect on T-a of La3+ and Mn2+ A-site substitution and Mn4+ and Mg2+ B-site substitution in polycrystalline SrTiO3 processed in air and sintering SrTi0.95Mn0.05O3-delta in different P(O-2) has been studied using in situ Raman spectroscopy and electron diffraction. The transition temperature was raised when Mn2+ and La (3+) were substituted for Sr2+ but lowered for Mn4+ and Mg2+ substitution on the Ti site. Sintering SrTi0.95Mn0.05O3-delta in N-2 reduced T-a, but sintering in O-2 had a negligible effect compared to air. It is proposed that two mechanisms are responsible for the modification of T-a: (i) the creation of oxygen vacancies by acceptor doping (Mg 2+ ions on the Ti site) and sinterin SrTi0.95Mn0.05O3-delta in low P(O-2) and (ii) adjustment of the perovskite tolerance factor (t) when, e.g., La3+ (1.36 angstrom) and Mn2+ (1.27 angstrom) substitute for Sr2+ (1.44 angstrom, decrease in t) and Mn4+ (0.53 angstrom) substitutes for Ti4+ (0.605 angstrom, increase in t).
publisher AMER CHEMICAL SOC
issn 0897-4756
year published 2007
volume 19
issue 26
beginning page 6471
ending page 6477
digital object identifier (doi) 10.1021/cm071795c
web of science category Chemistry, Physical; Materials Science, Multidisciplinary
subject category Chemistry; Materials Science
unique article identifier WOS:000251733600019
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journal impact factor 9.567
5 year journal impact factor 10.102
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