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• W2004646714 abstract "Using first-principles methods, we investigated the atomic relaxations, electronic structure, and formation energies of nonpassivated AlN nanowires along [0001] directions. We find that all the nanowires prefer to have (101¯0) lateral facets and all the wires with (101¯0) lateral facets are semiconductors with a direct band gap. However, surface states that arise from the facet atoms exist inside the bulklike band gap, which can have a large effect on the optoelectronic properties of the nanowires. Our calculated formation energies of the nanowires show that there is a sublinear relationship between the formation energy and surface-to-volume ratio, indicating that the surface effect is localized and becomes more important for small nanowires." @default.
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• W2004646714 date "2008-10-15" @default.
• W2004646714 modified "2023-09-26" @default.
• W2004646714 title "Structural and electronic properties of [0001] AlN nanowires: A first-principles study" @default.
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• W2004646714 doi "https://doi.org/10.1063/1.3003528" @default.
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