Pressure-induced structural transition and enhancement of energy gap of CuAlO2

Journal of the Physical Society of Japan

Volumn 80, Issue 2, 2011, Pages

  Nakanishi, Akitaka ^a   Katayama Yoshida, Hiroshi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Delafossite structure; Energy gap; First principle calculation; Pressure effect; Transparent conductive oxide

Indexed keywords

EID: 79951660847     PISSN: 00319015     EISSN: 13474073     Source Type: Journal    
DOI: 10.1143/JPSJ.80.024706     Document Type: Article

References (15)

1. h (-1/2; √3/2, 0), ah3 = ah (0, 0, ch/ah). Wyckoff positions: Cu (3a) (0, 0, 0), (2/3, 1/3, 1/3), (1/3, 2/3, 2/3), Al (3b) (0, 0, 1/2), (2/3, 1/3, 5/6), (1/3, 2/3, 1/6), O (6c) (0, 0, z), (2/3, 1/3, z+1/3), (1/3, 2/3, z + 2/3), (0, 0, -z), (2/3, 1/3, -z + 1/3), (1/3, 2/3, -z + 2/3).
2. h/√3. Wyckoff positions: Cu (1a) (0, 0, 0), Al (1b) (1/2, 1/2, 1/2), O (2c) (z, z, z), (-z, -z, -z).
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