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You-Zhao Lan, Hong-Lan Kang and Tao Niu Comprehensive understanding of size-, shape-, and composition-dependent polarizabilities of SimCn (m, n = 1–4) clusters International Journal of Quantum Chemistry 113

Version of Record online: 6 MAR 2012 | DOI: 10.1002/qua.24041

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Hyperpolarizabilities of small semiconductor clusters that depend on their shape and size have important implications for nanomaterial design. This article describes the development of a better correlation between the polarizability and both the binding energy and change in charge distribution instead of the energy gap. A quantitative expression for tunable polarizabilities of small silicon carbide clusters is developed.

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