GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement
Research output: Contribution to journal › Research article › Contributed › peer-review
Contributors
Abstract
We propose a two-dimensional crystal that possesses low indirect band gaps of 0.55 eV (monolayer) and 0.43 eV (bilayer) and high carrier mobilities similar to those of phosphorene, GeP3. GeP3 has a stable three-dimensional layered bulk counterpart, which is metallic and known from experiment since 1970. GeP3 monolayer has a calculated cleavage energy of 1.14 J m-2, which suggests exfoliation of bulk material as viable means for the preparation of mono- and few-layer materials. The material shows strong interlayer quantum confinement effects, resulting in a band gap reduction from mono- to bilayer, and then to a semiconductor-metal transition between bi- and triple layer. Under biaxial strain, the indirect band gap can be turned into a direct one. Pronounced light absorption in the spectral range from ∼600 to 1400 nm is predicted for monolayer and bilayer and promises applications in photovoltaics.
Details
Original language | English |
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Pages (from-to) | 1833-1838 |
Number of pages | 6 |
Journal | Nano letters |
Volume | 17 |
Issue number | 3 |
Publication status | Published - 8 Mar 2017 |
Peer-reviewed | Yes |
Externally published | Yes |
External IDs
PubMed | 28125237 |
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Keywords
ASJC Scopus subject areas
Keywords
- 2D crystals, black phosphorus, blue phosphorus, density functional theory, electronic properties, germanium phosphide, low band gap, phosphorene