Silicane and germanane: tight-binding and first-principles studies
classification
❄️ cond-mat.mtrl-sci
cond-mat.mes-hall
keywords
first-principlestight-bindinggermananemodelsilicaneanalysecalculationscomposition
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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.
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