Resolving the controversies about the 'nearly cubic' and other phases of Sr1-xCaxTiO3 (0≤x≤1): I. Room temperature structures

Mishra, Sanjay Kumar ; Ranjan, Rajeev ; Pandey, Dhananjai ; Stokes, H. T. (2006) Resolving the controversies about the 'nearly cubic' and other phases of Sr1-xCaxTiO3 (0≤x≤1): I. Room temperature structures Journal of Physics: Condensed Matter, 18 (6). No pp given. ISSN 0953-8984

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Official URL: http://iopscience.iop.org/0953-8984/18/6/006

Related URL: http://dx.doi.org/10.1088/0953-8984/18/6/006

Abstract

Results of a powder x-ray diffraction study are presented to show that the so-called 'nearly cubic' phase region of Sr1-xCaxTiO3, in fact, corresponds to two different types of crystal structures. The 'nearly cubic' phase occurring in the composition range 0.35<x<0.41 is antiferroelectric in nature and its most plausible space group is Pbcm, while the crystal structure of the 'nearly cubic' phase for 0.41≤x<0.70 belongs to the space group Pbnm. This space group persists up to x = 1.0, even though the 'nearly cubic'-like features disappear for x≥0.70. There are two other phase boundaries which occur around 0.05<x<0.06 and 0.35<x<0.36 and correspond to the change of structures with space groups Pm3m to Ibmm and Ibmm to Pbcm, respectively.

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