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

Takehiro Koike; Hena Das; Kengo Oka; Yoshihiro Kusano; Fernando Cubillas; Francisco Brown Bojorqez; Victor Emmanuel Alvarez-Montano; Shigekazu Ito; Kei Shigematsu; Hayato Togano; Ikuya Yamada; Hiroki Ishibashi; Yoshiki Kubota; Shigeo Mori; Noboru Kimizuka; Masaki Azuma

doi:10.3390/solids5030028

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

Takehiro Koike, Hena Das^*, Kengo Oka, Yoshihiro Kusano, Fernando Cubillas, Francisco Brown Bojorqez, Victor Emmanuel Alvarez-Montano, Shigekazu Ito, Kei Shigematsu, Hayato Togano, Ikuya Yamada, Hiroki Ishibashi, Yoshiki Kubota, Shigeo Mori, Noboru Kimizuka, Masaki Azuma^*

^*Corresponding author for this work

Departamento de Ingeniería Química y Metalurgia

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	422-433
Number of pages	12
Journal	Solids
Volume	5
Issue number	3
DOIs	https://doi.org/10.3390/solids5030028
State	Published - Sep 2024

Bibliographical note

Publisher Copyright:
© 2024 by the authors.

Keywords

YbFeO-type structure
high-pressure synthesis
phase transition
spinel structure

Access to Document

10.3390/solids5030028

Cite this

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title = "Pressure-Induced YbFe2O4-Type to Spinel Structural Change of InGaMgO4",

abstract = "Spinel-type InGaMgO4 with a = 8.56615(3) {\AA} 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.",

keywords = "YbFeO-type structure, high-pressure synthesis, phase transition, spinel structure",

author = "Takehiro Koike and Hena Das and Kengo Oka and Yoshihiro Kusano and Fernando Cubillas and Bojorqez, {Francisco Brown} and Alvarez-Montano, {Victor Emmanuel} and Shigekazu Ito and Kei Shigematsu and Hayato Togano and Ikuya Yamada and Hiroki Ishibashi and Yoshiki Kubota and Shigeo Mori and Noboru Kimizuka and Masaki Azuma",

note = "Publisher Copyright: {\textcopyright} 2024 by the authors.",

year = "2024",

month = sep,

doi = "10.3390/solids5030028",

language = "Ingl{\'e}s",

volume = "5",

pages = "422--433",

journal = "Solids",

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publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",

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T1 - Pressure-Induced YbFe2O4-Type to Spinel Structural Change of InGaMgO4

AU - Koike, Takehiro

AU - Das, Hena

AU - Oka, Kengo

AU - Kusano, Yoshihiro

AU - Cubillas, Fernando

AU - Bojorqez, Francisco Brown

AU - Alvarez-Montano, Victor Emmanuel

AU - Ito, Shigekazu

AU - Shigematsu, Kei

AU - Togano, Hayato

AU - Yamada, Ikuya

AU - Ishibashi, Hiroki

AU - Kubota, Yoshiki

AU - Mori, Shigeo

AU - Kimizuka, Noboru

AU - Azuma, Masaki

PY - 2024/9

Y1 - 2024/9

N2 - 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.

AB - 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.

KW - YbFeO-type structure

KW - high-pressure synthesis

KW - phase transition

KW - spinel structure

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DO - 10.3390/solids5030028

M3 - Artículo

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JO - Solids

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