Abstract
Electric field or in-plane strain is used to tailor the electronic structures of monolayer Black Phosphorus (M-BP). Upon applying electric field, the band gap of M-BP is greatly reduced and insulator-metal transition happens under certain field intensity. The electric field impact on the electron effective mass (EEM) of M-BP is anisotropic. The EEM along armchair direction is increased and that in the zigzag direction is greatly reduced. Tensile strain under small magnitude enlarges the band gap of M-BP and starts to reduce it when the strain becomes relatively large. The anisotropic EEM in the M-BP can also be reversed by the tensile strain. Under tensile strain, the electronic structure of M-BP becomes to be more efficiently modulated by the electric field. Compression strain only reduces the band gap of M-BP and has little impact on the EEM. For the M-BP under compression strain, its electronic structure can hardly be altered by the electric field.
| Original language | English |
|---|---|
| Pages (from-to) | 297-303 |
| Number of pages | 7 |
| Journal | Computational Materials Science |
| Volume | 112 |
| DOIs | |
| State | Published - 1 Feb 2016 |
| Externally published | Yes |
Keywords
- Black phosphorous
- Electric field
- Electronic structure
- Strain
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