skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Crystal structure and properties of high-pressure-synthesized BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3}

Abstract

GdFeO{sub 3}-type orthorhombic perovskite compounds BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} were prepared using a high-pressure and high-temperature technique at 6 GPa and 1300–1600 K. Their crystal structures were investigated using synchrotron X-ray powder diffraction data: a=5.8098(3) Å, b=7.7720(4) Å, and c=5.3510(3) Å for BiRhO{sub 3}; a=5.75519(1) Å, b=7.77218(2) Å, and c=5.37572(1) Å for NdRhO{sub 3}, and a=5.66981(1) Å, b=7.51205(2) Å, and c=5.18520(1) Å for LuRhO{sub 3}. BiRhO{sub 3} crystallizes in the centrosymmetric space group Pnma (No. 62) similar to LuRhO{sub 3} and NdRhO{sub 3} despite the presence of the lone electron pair of Bi{sup 3+} and the non-magnetic ground state of Rh{sup 3+}. BiRhO{sub 3} and LuRhO{sub 3} are non-magnetic, and NdRhO{sub 3} shows paramagnetic behavior from Nd{sup 3+} ions. The specific heat of BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} in different applied magnetic fields was also investigated. An energy gap of BiRhO{sub 3} was estimated to be about 1.3 eV from diffuse reflectance spectra and 0.95 eV from first-principle calculations with U=3.5 eV. - Graphical abstract: A fragment of the crystal structure of BiRhO{sub 3} in the Pnma (along b axis) model, 2×2×2 unit cell. The RhO{sub 6} octahedra are shown in gray. The Bi atomsmore » are shown by big black circles. Highlights: ► BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} were prepared using a high-pressure technique. ► Structure of three compounds was determined: centrosymmetric space group Pnma. ► BiRhO{sub 3} and LuRhO{sub 3} are non-magnetic, and NdRhO{sub 3} shows paramagnetic behavior. ► Specific heat of BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} was investigated. ► BiRhO{sub 3} has an energy gap of about 1.3 eV.« less

Authors:
 [1];  [1]; ;  [2];  [1];  [1]
  1. International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)
  2. SPring-8 Office, NIMS, Kohto 1-1-1, Sayo-cho, Hyogo 679-5148 (Japan)
Publication Date:
OSTI Identifier:
22304564
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 200; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; BISMUTH IONS; ELECTRON PAIRS; ENERGY GAP; GROUND STATES; MAGNETIC FIELDS; MAGNETIC PROPERTIES; NEODYMIUM IONS; ORTHORHOMBIC LATTICES; PARAMAGNETISM; PEROVSKITE; RHODIUM IONS; RHODIUM OXIDES; SPACE GROUPS; SPECIFIC HEAT; SPECTRA; SYNCHROTRONS; SYNTHESIS; X-RAY DIFFRACTION

Citation Formats

Yi, Wei, E-mail: YI.Wei@nims.go.jp, Liang, Qifeng, Matsushita, Yoshitaka, Tanaka, Masahiko, Hu, Xiao, and Belik, Alexei A., E-mail: Alexei.Belik@nims.go.jp. Crystal structure and properties of high-pressure-synthesized BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3}. United States: N. p., 2013. Web. doi:10.1016/J.JSSC.2013.01.035.
Yi, Wei, E-mail: YI.Wei@nims.go.jp, Liang, Qifeng, Matsushita, Yoshitaka, Tanaka, Masahiko, Hu, Xiao, & Belik, Alexei A., E-mail: Alexei.Belik@nims.go.jp. Crystal structure and properties of high-pressure-synthesized BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3}. United States. doi:10.1016/J.JSSC.2013.01.035.
Yi, Wei, E-mail: YI.Wei@nims.go.jp, Liang, Qifeng, Matsushita, Yoshitaka, Tanaka, Masahiko, Hu, Xiao, and Belik, Alexei A., E-mail: Alexei.Belik@nims.go.jp. Mon . "Crystal structure and properties of high-pressure-synthesized BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3}". United States. doi:10.1016/J.JSSC.2013.01.035.
@article{osti_22304564,
title = {Crystal structure and properties of high-pressure-synthesized BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3}},
author = {Yi, Wei, E-mail: YI.Wei@nims.go.jp and Liang, Qifeng and Matsushita, Yoshitaka and Tanaka, Masahiko and Hu, Xiao and Belik, Alexei A., E-mail: Alexei.Belik@nims.go.jp},
abstractNote = {GdFeO{sub 3}-type orthorhombic perovskite compounds BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} were prepared using a high-pressure and high-temperature technique at 6 GPa and 1300–1600 K. Their crystal structures were investigated using synchrotron X-ray powder diffraction data: a=5.8098(3) Å, b=7.7720(4) Å, and c=5.3510(3) Å for BiRhO{sub 3}; a=5.75519(1) Å, b=7.77218(2) Å, and c=5.37572(1) Å for NdRhO{sub 3}, and a=5.66981(1) Å, b=7.51205(2) Å, and c=5.18520(1) Å for LuRhO{sub 3}. BiRhO{sub 3} crystallizes in the centrosymmetric space group Pnma (No. 62) similar to LuRhO{sub 3} and NdRhO{sub 3} despite the presence of the lone electron pair of Bi{sup 3+} and the non-magnetic ground state of Rh{sup 3+}. BiRhO{sub 3} and LuRhO{sub 3} are non-magnetic, and NdRhO{sub 3} shows paramagnetic behavior from Nd{sup 3+} ions. The specific heat of BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} in different applied magnetic fields was also investigated. An energy gap of BiRhO{sub 3} was estimated to be about 1.3 eV from diffuse reflectance spectra and 0.95 eV from first-principle calculations with U=3.5 eV. - Graphical abstract: A fragment of the crystal structure of BiRhO{sub 3} in the Pnma (along b axis) model, 2×2×2 unit cell. The RhO{sub 6} octahedra are shown in gray. The Bi atoms are shown by big black circles. Highlights: ► BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} were prepared using a high-pressure technique. ► Structure of three compounds was determined: centrosymmetric space group Pnma. ► BiRhO{sub 3} and LuRhO{sub 3} are non-magnetic, and NdRhO{sub 3} shows paramagnetic behavior. ► Specific heat of BiRhO{sub 3}, LuRhO{sub 3}, and NdRhO{sub 3} was investigated. ► BiRhO{sub 3} has an energy gap of about 1.3 eV.},
doi = {10.1016/J.JSSC.2013.01.035},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 200,
place = {United States},
year = {2013},
month = {4}
}