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Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene
Open accessAbstract
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 a power law. The work function decreases rapidly from monolayer (5.16 eV) to trilayer (4.56 eV), and then slowly upon further increasing the layer number. Compared to monolayer phosphorene, there is a drastic decrease of hole effective mass along the ridge (zigzag) direction for bilayer phosphorene, indicating a strong interlayer coupling and screening effect. Our study suggests that 1). Few-layer phosphorene with a layer-dependent band gap and a robust direct band gap character is promising for efficient solar energy harvest. 2). Few-layer phosphorene outperforms monolayer counterpart in terms of a lighter carrier effective mass, a higher carrier density and a weaker scattering due to enhanced screening. 3). The layer-dependent band edges and work functions of few-layer phosphorene allow for modification of Schottky barrier with enhanced carrier injection efficiency. It is expected that few-layer phosphorene will present abundant opportunities for a plethora of new electronic applications.
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Metadata
- Authors
- Cai, Y., Zhang, G., & Zhang, Y.-W.
- Venue
- Scientific Reports
- Published
- 2014-10-20
- Volume
- 4
- Issue
- 1
- Pages
- 6677-6677
- ISSN
- 2045-2322 (ISSN-L)
- OpenAlex
- W2051155172
- Cited by
- 894
- References
- 27
- FWCI
- 36.63
- Type
- journal article
- Language
- en
- Open access
- gold
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