Structure of β-AgGaO2; ternary I-III-VI2 oxide semiconductor with a wurtzite-derived structure

Hiraku Nagatani; Issei Suzuki; Masao Kita; Masahiko Tanaka; Yoshio Katsuya; Osami Sakata; Takahisa Omata

doi:10.1016/j.jssc.2014.11.012

Structure of β-AgGaO₂; ternary I-III-VI₂ oxide semiconductor with a wurtzite-derived structure

Hiraku Nagatani, Issei Suzuki, Masao Kita, Masahiko Tanaka, Yoshio Katsuya, Osami Sakata, Takahisa Omata

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

14 Citations (Scopus)

Abstract

The structure of the wurtzite-derived β-AgGaO₂ was refined by Rietveld analysis of high-resolution powder diffraction data obtained using synchrotron X-ray radiation. The space group of the crystal is Pna2₁ with lattice parameters of a₀=5.56175 A˚, b₀=7.14749 A˚, and c₀=5.46875 A˚. The deviation of O-Ag-O and M-O-M bond angles from the regular tetrahedral angle of 109.51 was very large at ∼8° and ∼11°, respectively. The electronic structure of β-AgGaO₂ is discussed based on its structure, and the indirect band gap of β-AgGaO₂ was related to significant tetrahedral distortion. Although β-AgGaO₂ decomposes into metallic silver and Ga₂O₃ at a high temperature in any atmosphere, β-AgGaO₂ is stable up to 690°C under an O₂ atmosphere. No direct transformation from the wurtzite-derived phase to a delafossite phase occurs in β-AgGaO₂.

Original language	English
Pages (from-to)	66-70
Number of pages	5
Journal	Journal of Solid State Chemistry
Volume	222
DOIs	https://doi.org/10.1016/j.jssc.2014.11.012
Publication status	Published - 2015 Feb
Externally published	Yes

Keywords

AgGaO
Crystal structure
I-III-VI semiconductors
Wurtzite structure
X-ray diffraction

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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@article{15777deb9e394b02af37b3325e946923,

title = "Structure of β-AgGaO2; ternary I-III-VI2 oxide semiconductor with a wurtzite-derived structure",

abstract = "The structure of the wurtzite-derived β-AgGaO2 was refined by Rietveld analysis of high-resolution powder diffraction data obtained using synchrotron X-ray radiation. The space group of the crystal is Pna21 with lattice parameters of a0=5.56175 A˚, b0=7.14749 A˚, and c0=5.46875 A˚. The deviation of O-Ag-O and M-O-M bond angles from the regular tetrahedral angle of 109.51 was very large at ∼8° and ∼11°, respectively. The electronic structure of β-AgGaO2 is discussed based on its structure, and the indirect band gap of β-AgGaO2 was related to significant tetrahedral distortion. Although β-AgGaO2 decomposes into metallic silver and Ga2O3 at a high temperature in any atmosphere, β-AgGaO2 is stable up to 690°C under an O2 atmosphere. No direct transformation from the wurtzite-derived phase to a delafossite phase occurs in β-AgGaO2.",

keywords = "AgGaO, Crystal structure, I-III-VI semiconductors, Wurtzite structure, X-ray diffraction",

author = "Hiraku Nagatani and Issei Suzuki and Masao Kita and Masahiko Tanaka and Yoshio Katsuya and Osami Sakata and Takahisa Omata",

note = "Funding Information: This work was supported in part by the Grants-in-Aid for Scientific Research of Challenging Exploratory Research (No. 25630283 ) from the Japan Society for the Promotion of Science and by the NIMS microstructural characterization platform as a program of the “Nanotechnology Platform” of the Ministry of Education, Culture, Sports, Science, and Technology , Japan. Publisher Copyright: {\textcopyright} 2014 Elsevier Inc. All rights reserved.",

year = "2015",

month = feb,

doi = "10.1016/j.jssc.2014.11.012",

language = "English",

volume = "222",

pages = "66--70",

journal = "Journal of Solid State Chemistry",

issn = "0022-4596",

publisher = "Academic Press Inc.",

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TY - JOUR

T1 - Structure of β-AgGaO2; ternary I-III-VI2 oxide semiconductor with a wurtzite-derived structure

AU - Nagatani, Hiraku

AU - Suzuki, Issei

AU - Kita, Masao

AU - Tanaka, Masahiko

AU - Katsuya, Yoshio

AU - Sakata, Osami

AU - Omata, Takahisa

N1 - Funding Information: This work was supported in part by the Grants-in-Aid for Scientific Research of Challenging Exploratory Research (No. 25630283 ) from the Japan Society for the Promotion of Science and by the NIMS microstructural characterization platform as a program of the “Nanotechnology Platform” of the Ministry of Education, Culture, Sports, Science, and Technology , Japan. Publisher Copyright: © 2014 Elsevier Inc. All rights reserved.

PY - 2015/2

Y1 - 2015/2

N2 - The structure of the wurtzite-derived β-AgGaO2 was refined by Rietveld analysis of high-resolution powder diffraction data obtained using synchrotron X-ray radiation. The space group of the crystal is Pna21 with lattice parameters of a0=5.56175 A˚, b0=7.14749 A˚, and c0=5.46875 A˚. The deviation of O-Ag-O and M-O-M bond angles from the regular tetrahedral angle of 109.51 was very large at ∼8° and ∼11°, respectively. The electronic structure of β-AgGaO2 is discussed based on its structure, and the indirect band gap of β-AgGaO2 was related to significant tetrahedral distortion. Although β-AgGaO2 decomposes into metallic silver and Ga2O3 at a high temperature in any atmosphere, β-AgGaO2 is stable up to 690°C under an O2 atmosphere. No direct transformation from the wurtzite-derived phase to a delafossite phase occurs in β-AgGaO2.

AB - The structure of the wurtzite-derived β-AgGaO2 was refined by Rietveld analysis of high-resolution powder diffraction data obtained using synchrotron X-ray radiation. The space group of the crystal is Pna21 with lattice parameters of a0=5.56175 A˚, b0=7.14749 A˚, and c0=5.46875 A˚. The deviation of O-Ag-O and M-O-M bond angles from the regular tetrahedral angle of 109.51 was very large at ∼8° and ∼11°, respectively. The electronic structure of β-AgGaO2 is discussed based on its structure, and the indirect band gap of β-AgGaO2 was related to significant tetrahedral distortion. Although β-AgGaO2 decomposes into metallic silver and Ga2O3 at a high temperature in any atmosphere, β-AgGaO2 is stable up to 690°C under an O2 atmosphere. No direct transformation from the wurtzite-derived phase to a delafossite phase occurs in β-AgGaO2.

KW - AgGaO

KW - Crystal structure

KW - I-III-VI semiconductors

KW - Wurtzite structure

KW - X-ray diffraction

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DO - 10.1016/j.jssc.2014.11.012

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AN - SCOPUS:84912008197

VL - 222

SP - 66

EP - 70

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

SN - 0022-4596

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