Pressure-Induced YbFe2O4-Type to Spinel Structural Change of InGaMgO4

Spinel-type InGaMgO4 with a = 8.56615(3) Å was prepared by treating layered YbFe2O4-type InGaMgO4 at 6 GPa and 1473 K. DFT calculation and Rietveld analysis of synchrotron X-ray powder diffraction data revealed the inverse spinel structure with In3+:Ga3+/Mg2+ = 0.726:0.274 in the tetrahedral site and 0.137:0.863 in the octahedral site. InGaMgO4 spinel is an insulator with an experimental band gap of 2.80 eV, and the attempt at hole doping by post-annealing in a reducing atmosphere to introduce an oxygen defect was unsuccessful. This is the first report of the bulk synthesis of AB2O4 compounds with both YbFe2O4 and spinel polymorphs.

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Publication Details

Journal
Solids
Published
2024-08-19
DOI
https://doi.org/10.3390/solids5030028
Citations
1
Primary Topic
Advanced Condensed Matter Physics
Type
article
Field-Weighted Citation Impact
0.31

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article

Pressure-Induced YbFe2O4-Type to Spinel Structural Change of InGaMgO4

Fernando Cubillas, Noboru Kimizuka, Victor Emmanuel Alvarez‐Montaño, Hayato Togano et al.
1 citations
Solids
Advanced Condensed Matter Physics
0.31
article

Pressure-Induced YbFe2O4-Type to Spinel Structural Change of InGaMgO4

Fernando Cubillas, Noboru Kimizuka, Victor Emmanuel Alvarez‐Montaño, Hayato Togano, Kengo Oka, Hiroki Ishibashi, Yoshihiro Kusano, Yoshiki Kubota, Francisco Brown, Shigekazu Ito, Kei Shigematsu, Hena Das, Ikuya Yamada, Masaki Azuma, Shigeo Mori, Takehiro Koike
article en
1 citations

Abstract

Spinel-type InGaMgO4 with a = 8.56615(3) Å was prepared by treating layered YbFe2O4-type InGaMgO4 at 6 GPa and 1473 K. DFT calculation and Rietveld analysis of synchrotron X-ray powder diffraction data revealed the inverse spinel structure with In3+:Ga3+/Mg2+ = 0.726:0.274 in the tetrahedral site and 0.137:0.863 in the octahedral site. InGaMgO4 spinel is an insulator with an experimental band gap of 2.80 eV, and the attempt at hole doping by post-annealing in a reducing atmosphere to introduce an oxygen defect was unsuccessful. This is the first report of the bulk synthesis of AB2O4 compounds with both YbFe2O4 and spinel polymorphs.

SolidsVol. 5(3)
Tokyo Institute of Technology (JP), Okayama University of Science (JP), Universidad de Sonora (MX), Kanagawa Industrial Technology Center (JP), Osaka Metropolitan University (JP), Kindai University (JP)
Ministry of Education, Culture, Sports, Science and Technology, Japan Society for the Promotion of Science, Institute of Innovative Research, Tokyo Institute of Technology
Openalex Percentile: Top 44%
Advanced Condensed Matter Physics
0.31
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