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The Dependence of Structural Stability and Tunable Gap on the Si Components of ZnSe/Si Bi-Coaxial Nanowire Heterostructures

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The bare and hydrogen-passivated ZnSe/Si bi-coaxial nanowire heterostructures along [110] direction have been investigated by using the first-principle calculations within density functional theory. The structural stability and electronic property of ZnSe/Si bi-coaxial nanowire heterostructures have been shown by changing the Si components. It is found that the ZnSe/Si nanowires have zero gaps at lower Si components, and then they have the increasing gap at higher Si components. It is seen clearly that there is the transition of band gap form zero to nonzero. With increasing Si components, the ZnSe/Si nanowires can be also achieved as n-type or p-type, in agreement qualitatively with the experimental observations. In addition, the structural stabilities and the cohesive energies of ZnSe/Si bi-coaxial nanowires are changed obviously with the different Si components.
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Document Type: Research Article

Publication date: 01 March 2012

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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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