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Structural and electronic properties of crystalline InGaO3(ZnO)m

2008; American Institute of Physics; Volume: 93; Issue: 11 Linguagem: Inglês

10.1063/1.2980583

1520-8842

W. J. Lee, Eun–Ae Choi, Junhyeok Bang, Byungki Ryu, K. J. Chang,

Gas Sensing Nanomaterials and Sensors

Based on theoretical calculations, we find that the crystal structure of InGaO3(ZnO)m consists of an alternating stack of a wurtzite (Ga∕Zn)–O block and an In–O octahedral layer. In the (Ga∕Zn)–O block, the Ga atoms favor a modulated boundary structure against a flat boundary structure. The band spectrum shows that hole carriers are spatially confined whereas electrons move more freely through the whole crystal. The characteristics of a superlattice structure appears especially in the flat boundary structure. The band gap decreases with m due to the reduction in the quantum confinement effect.