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 journalArticlepeer-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 languageEnglish
Pages (from-to)66-70
Number of pages5
JournalJournal of Solid State Chemistry
Volume222
DOIs
Publication statusPublished - 2015 Feb
Externally publishedYes

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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