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Local structural distortion and interrelated phonon mode studies in yttrium chromite

Mannepalli, Venkateswara Rao and Raghunathan, Rajamani and Ramadurai, Ranjith and David, Adrian and Prellier, Wilfrid (2017) Local structural distortion and interrelated phonon mode studies in yttrium chromite. In: JOURNAL OF MATERIALS RESEARCH, 32 (8). pp. 1541-1547.

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Official URL: http://dx.doi.org/10.1557/jmr.2017.5


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 B(3)g(3) out of phase scissor mode (SM) disappears above the dielectric transition temperature (Tc) 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 B-3g to Raman inactive B-1u mode.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the CAMBRIDGE UNIV PRESS, 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 03 Jun 2017 09:43
Last Modified: 03 Jun 2017 09:43
URI: http://eprints.iisc.ac.in/id/eprint/57118

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