Display options
Cite
Belik AA, Yi W, Kumagai Y, et al. LiNbO3-Type Oxide (Tl(1-x)Sc(x))ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties. Inorg Chem. 2016;55(4):1940-5doi: 10.1021/acs.inorgchem.5b02915.
Belik, A. A., Yi, W., Kumagai, Y., Katsuya, Y., Tanaka, M., & Oba, F. (2016). LiNbO3-Type Oxide (Tl(1-x)Sc(x))ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties. Inorganic chemistry, 55(4), 1940-5. https://doi.org/10.1021/acs.inorgchem.5b02915
Belik, Alexei A, et al. "LiNbO3-Type Oxide (Tl(1-x)Sc(x))ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties." Inorganic chemistry vol. 55,4 (2016): 1940-5. doi: https://doi.org/10.1021/acs.inorgchem.5b02915
Belik AA, Yi W, Kumagai Y, Katsuya Y, Tanaka M, Oba F. LiNbO3-Type Oxide (Tl(1-x)Sc(x))ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties. Inorg Chem. 2016 Feb 15;55(4):1940-5. doi: 10.1021/acs.inorgchem.5b02915. Epub 2016 Feb 03. PMID: 26840839.
Copy Download .nbib Format: NLM
Share it on

Inorg Chem. 2016 Feb 15;55(4):1940-5. doi: 10.1021/acs.inorgchem.5b02915. Epub 2016 Feb 03.

LiNbO3-Type Oxide (Tl(1-x)Sc(x))ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties.

Inorganic chemistry

Alexei A Belik, Wei Yi, Yu Kumagai, Yoshio Katsuya, Masahiko Tanaka, Fumiyasu Oba

Affiliations

  1. International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS) , Namiki 1-1, Tsukuba, Ibaraki 305-0044, Japan.
  2. Institute of Physics and Beijing National Laboratory for Condensed Matter Physics, Chinese Academy of Sciences , Beijing 100190, China.
  3. Synchrotron X-ray Station at SPring-8, NIMS , Kouto 1-1-1, Sayo-cho, Hyogo 679-5148, Japan.

PMID: 26840839 DOI: 10.1021/acs.inorgchem.5b02915

Abstract

We investigate the synthesis of a thallium scandate, TlScO3, under high-pressure (6-7.7 GPa) and high-temperature (1373-1773 K) conditions. At 6 GPa, a LiNbO3-type phase appears in a narrow temperature range and in mixtures with other phases. At 7.7 GPa and 1673 K, a new LiNbO3-type oxide is found with a composition of (Tl(1-x)Sc(x))ScO3 and x ≈ 0.26 as determined by structural analysis from X-ray powder diffraction data. It crystallizes in space group R3c (No. 161) with lattice parameters of a = 5.50283(7) Å and c = 14.4606(2) Å. It is stable at least up to 800 K at ambient pressure. The point-charge model gives an electric polarization of 60 μC/cm(2). First-principles calculations show that centrosymmetric ilmenite-type and polar LiNbO3-type structures of stoichiometric TlScO3 have almost the same lowest energy, and the next stable structure is a GdFeO3-type perovskite structure.

Publication Types