Silicane and germanane:tight-binding and first-principles studies

Zolyomi, Viktor and Wallbank, John and Falko, Vladimir (2014) Silicane and germanane:tight-binding and first-principles studies. 2D Materials, 1 (1).

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Abstract

We present a first-principles and tight-binding model study of silicane and germanane, the hydrogenated derivatives of two-dimensional silicene and germanene. We find that the materials are stable in freestanding form, analyse the orbital composition, and derive a tight-binding model using first-principles calculations to fit the parameters.