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Experimental verification of the ab initio phase transition sequence in SrZrO3 and comparisons with SrHfO3 and SrSnO3
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dc.contributor.author | Kumar, Ashok | |
dc.contributor.author | Kumari, Shalini | |
dc.contributor.author | Borkar, Hitesh | |
dc.contributor.author | Katiyar, R S | |
dc.contributor.author | Scott, James Floyd | |
dc.date.accessioned | 2017-01-20T15:30:11Z | |
dc.date.available | 2017-01-20T15:30:11Z | |
dc.date.issued | 2017-01-19 | |
dc.identifier | 246954288 | |
dc.identifier | 6cf28308-eaf6-4dcb-a166-06d74eb8e604 | |
dc.identifier | 85042254589 | |
dc.identifier | 000426825600001 | |
dc.identifier.citation | Kumar , A , Kumari , S , Borkar , H , Katiyar , R S & Scott , J F 2017 , ' Experimental verification of the ab initio phase transition sequence in SrZrO 3 and comparisons with SrHfO 3 and SrSnO 3 ' , Computational Materials , vol. 3 , 2 . https://doi.org/10.1038/s41524-016-0002-y | en |
dc.identifier.issn | 2057-3960 | |
dc.identifier.uri | https://hdl.handle.net/10023/10137 | |
dc.description | AK acknowledges the CSIR-National Physical Laboratoryinternal net work project, INDIA. Hitesh Borkar would like to acknowledge the CSIR (SRF) to provide fellowship to carry out PhD program. | en |
dc.description.abstract | 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 = 970K, thereby proving the latter to be displacive. In addition, the P4mm ferroelectric phase predicted at high stresses [Amisi et al., Phy. Rev. B 85, 064112 (2012)] 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, J Phys.Condens. Mat. 27, 365401 (2015). We show that a known transition in SrHfO3 is also displacive with a well-behaved soft mode. | |
dc.format.extent | 749181 | |
dc.language.iso | eng | |
dc.relation.ispartof | Computational Materials | en |
dc.subject | Ferroelectrics and multiferroics | en |
dc.subject | QC Physics | en |
dc.subject | QD Chemistry | en |
dc.subject | T Technology | en |
dc.subject | NDAS | en |
dc.subject.lcc | QC | en |
dc.subject.lcc | QD | en |
dc.subject.lcc | T | en |
dc.title | Experimental verification of the ab initio phase transition sequence in SrZrO3 and comparisons with SrHfO3 and SrSnO3 | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. School of Physics and Astronomy | en |
dc.contributor.institution | University of St Andrews. Condensed Matter Physics | en |
dc.identifier.doi | 10.1038/s41524-016-0002-y | |
dc.description.status | Peer reviewed | en |
dc.date.embargoedUntil | 2017-01-19 |
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