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Computational Investigation on Structural and Physical Properties of AlN Nanosheets and Nanoribbons

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Through first-principles computations, we investigated the structural, electronic and magnetic properties of two-dimensional AlN single layer and one-dimensional AlN nanoribbons. AlN single layer and nanoribbons quit the Wurtzite configuration and adopt a graphitic-like structure after geometry optimization. Both hydrogen-terminated zigzag and armchair AlN nanoribbons have a direct band gap, which increases monotonically with increasing ribbon width. Bare zigzag AlN nanoribbons have a spin-polarized ground state and are magnetic semiconductors. The results may promote the experimental preparation of AlN nanosheets and nanoribbons and their applications to nanotechnology.


Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jnn.2010.2934

Publication date: November 1, 2010

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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