[11p-Z07-1~14] 6.3 Oxide electronics

[11p-Z07-13] Electronic structure of oxygen-excess amorphous Al₂O₃: First-principles calculations

〇Hiroyoshi Momida¹, Koichi Ashizawa², Naotaka Ohtsuka², Katsuhiro Sasaki², Tamio Oguchi¹ (1.Osaka Univ., 2.UACJ)

Keywords:first-principles calculation, amorphous oxide

This study aims to theoretically clarify the electronic structures near the band gap of oxygen-excess amorphous Al₂O₃ materials. From the first-principles calculations using the amorphous model structures, it is shown that the electronic bands originating from the O-O linkages formed by excess oxygen appear at the valence band top and the conduction band bottom regions. It is also shown that the local atomic structures and the electronic band structures significantly change depending on the charged states of excess oxygen.