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Local structural distortion and interrelated phonon mode studies in yttrium chromite

Published online by Cambridge University Press:  30 January 2017

Venkateswara Rao Mannepalli ,
Rajamani Raghunathan ,
Ranjith Ramadurai ,
Adrian David  and
Wilfrid Prellier
Venkateswara Rao Mannepalli
Affiliation:
Department of Materials Science and Metallurgical Engineering, Indian Institute of Technology Hyderabad, Hyderabad 502205, Telangana, India
Rajamani Raghunathan
Affiliation:
Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore-560012, India
Ranjith Ramadurai*
Affiliation:
Department of Materials Science and Metallurgical Engineering, Indian Institute of Technology Hyderabad, Hyderabad 502205, Telangana, India
Adrian David
Affiliation:
Laboratoire CRISMAT, ENSICAEN/CNRS, Caen 14050, France
Wilfrid Prellier
Affiliation:
Laboratoire CRISMAT, ENSICAEN/CNRS, Caen 14050, France
*
a) Address all correspondence to this author. e-mail: [email protected]
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Abstract

YCrO3 (YCO) perovskite has been originally reported to be a biferroic with antiferromagnetic and ferroelectric (FE) properties, in which the origin of FE in YCO remains ambiguous. However, further studies reveal the presence of a global orthorhombic Pnma structure with a local structural heterogeneity. In this study, we discuss the high temperature phonon modes and their inter-relation to local structural distortions in YCO perovskite through Raman spectroscopy experiments and density functional theory (DFT) calculations. We observe that the Raman active B3g(3) out of phase scissor mode (SM) disappears above the dielectric transition temperature (T c) commensurate with the local structural distortions. DFT calculations show that the transformation of a room temperature Y-cation distorted orthorhombic structure to a perfect orthorhombic structure above the dielectric transition temperature in which the Y cation is undisplaced could lead to the conversion of SM with symmetry B3g to Raman inactive B1u mode.

Keywords

Raman spectroscopystructuralsol–gel
Type
Articles
Information
Journal of Materials Research , Volume 32 , Issue 8 , 28 April 2017 , pp. 1541 - 1547
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Copyright
Copyright © Materials Research Society 2017 

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Footnotes

Contributing Editor: Scott T. Misture

References

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