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We present detailed Raman studies of SrZrO3 (SZO) that show three anomalies in Raman modes: One has a small jump in frequency ω, one has its intensity vanish, and a third has a sharp change in temperature derivative dω(T)/dT from flat below T = 600 K to a Curie–Weiss dependence above 600 K with extrapolation to zero frequency at the known transition temperature T = 970 K, thereby proving the latter to be displacive. In addition, the P4mm ferroelectric phase predicted at high stresses has preliminary support from polarization-voltage experiments. The inference of a new transition in the temperature region 600–650 K is in disagreement with neutron studies. Comparisons are given for family member SrSnO3 and SrHfO3, and we discuss the different conclusions of Kennedy and Knight. We show that a known transition in SrHfO3 is also displacive with a well-behaved soft mode.Dielectrics: into a new phaseAn unexpected atomic arrangement in a material useful for electronics is identified by researchers in India, the UK, and the USA. Ashok Kumar from the CSIR-National Physical Laboratory and co-workers observe a phase change in strontium zirconate at 650 K. Strontium zirconate is an electrical insulator that has great potential in the semiconductor-technology because of its large dielectric constant. As this so-called perovskite is heated, its atomic structure changes at specific temperatures. But the sequence of these phase changes is still a matter of debate. Kumar and colleagues study the structure of strontium zirconate by measuring the optical emission associated with atomic vibrations—a method known as Raman spectroscopy and dielectric spectroscopy. They identify three anomalous features in these results that infer the presence of a new phase transition.

Experimental verification of the ab initio phase transition sequence in SrZrO3 and comparisons with SrHfO3 and SrSnO 3