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Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene

Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene

Using first-principles calculations, we study the electronic properties of few-layer phosphorene focusing on layer-dependent behavior of band gap, work function band alignment and carrier effective mass. It is found that few-layer phosphorene shows a robust direct band gap character and its band gap decreases with the number of layers following …