Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3

Journal article

The bulk and surface electronic structure of In2 O3 has proved controversial, prompting the current combined experimental and theoretical investigation. The band gap of single-crystalline In2 O3 is determined as 2.93±0.15 and 3.02±0.15 eV for the cubic bixbyite and rhombohedral polymorphs, respectively. The valence-band density of states is investigated from x-ray photoemission spectroscopy measurements and density-functional theory calculations. These show excellent agreement, supporting the...

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Authors: King, P; Veal, T; Fuchs, F; Wang, C; Payne, D

• Publication status: Published
• Journal: Physical Review B
• Volume: 79
• Issue: 20
• Publication date: 2009-05-01
• DOI: 10.1103/PhysRevB.79.205211
• EISSN: 1550-235X
• ISSN: 1098-0121
• Language: English
• Keywords: surface states; energy gap; density functional theory; electronic density of states; indium compounds; X-ray photoelectron spectra; valence bands