Abstract
The structure of SrTiO3 has been the subject of X-ray, [1] infrared, [2] ESR, [3–5] neutron, [6] and Raman [7–10] spectroscopic investigations since 1962. While the high-temperature phase is acknowledged to be simple cubic perovskite 0<Stack><Subscript>h</Subscript><Superscript>1</Superscript></Stack>, with one formula group per unit cell, there have been, until recently, apparent inconsistencies in the diverse data and a lack of agreement concerning the symmetry of the crystal at low temperatures. Following discovery of anomalies in the sound velocity of SrTiO3 near 110°K [11], ESR studies [3] showed the presence of a cubic to tetragonal phase transition. This was verified by means of X-ray analysis [1]; in the latter study the c/a ratio was determined to be 1.000 56, and two other phase transitions were inferred to be at 65 and 35°K. Infrared and neutron studies [2, 6] supported the X-ray symmetry assignment of structure at 77 °K: the crystal was viewed as having domain structure with one of the equivalent (100) axes in each domain slightly elongated in the tetragonal phase; below 110°K the crystal was thought to retain a single formula group per unit cell and all atoms at inversion centers. The distortion from cubic symmetry was apparently so slight, in fact, that even the predicted F1u → Eu + A2u doubling below 110°K of each of the Oh -phase IR-active vibrations was unobservable in infrared studies. [2]
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Worlock, J.M., Scott, J.F., Fleury, P.A. (1969). Soft Phonon Modes and the 110°K Phase Transition in SrTiO3 . In: Wright, G.B. (eds) Light Scattering Spectra of Solids. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-87357-7_75
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DOI: https://doi.org/10.1007/978-3-642-87357-7_75
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