Crystal and electronic band structures of homologous compounds Zn{sub k}In{sub 2}O{sub k+3} by Rietveld analysis and first-principle calculation

• Published in: Materials research bulletin Vol. 44; no. 2
• Main Authors: Yoshinari, Atsushi, Ishida, Katsuya, Murai, Kei-ichiro, Department of Advanced Materials, Institute of Technology and Science, University of Tokushima, 2-1 Minami-Josanjima, Tokushima 770-8506, Moriga, Toshihiro
• Format: Journal Article
• Language: English
• Published: United States 04.02.2009
• Subjects: CERAMICS; CRYSTAL STRUCTURE; CRYSTALS; ELECTRONIC STRUCTURE; FERMI LEVEL; FORMATION HEAT; INDIUM IONS; INDIUM OXIDES; LAYERS; MATERIALS SCIENCE; SEMICONDUCTOR MATERIALS; X RADIATION; X-RAY DIFFRACTION; ZINC IONS; ZINC OXIDES

Crystal structure of homologous compounds, Zn{sub 3}In{sub 2}O{sub 6,} Zn{sub 4}In{sub 2}O{sub 7}, Zn{sub 5}In{sub 2}O{sub 8}, Zn{sub 7}In{sub 2}O{sub 10}, and In{sub 2}O{sub 3} were refined by X-ray Rietveld analysis. Band structures of the homologous compounds were evaluated by first-principle cal...