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

Journal Article · Mon Apr 15 00:00:00 EDT 2013 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2013.01.035· OSTI ID:22304564

Yi, Wei ^[1]; Liang, Qifeng ^[1]; Matsushita, Yoshitaka; Tanaka, Masahiko ^[2]; Hu, Xiao ^[1]

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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)

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.

• OSTI ID: 22304564
• Journal Information: Journal of Solid State Chemistry, Vol. 200; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

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