GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Yu Jing - , Leipzig University, Jacobs University Bremen (Author)
  • Yandong Ma - , Leipzig University (Author)
  • Yafei Li - , Nanjing Normal University (Author)
  • Thomas Heine - , Leipzig University, Jacobs University Bremen (Author)

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 languageEnglish
Pages (from-to)1833-1838
Number of pages6
JournalNano letters
Volume17
Issue number3
Publication statusPublished - 8 Mar 2017
Peer-reviewedYes
Externally publishedYes

External IDs

PubMed 28125237

Keywords

Keywords

  • 2D crystals, black phosphorus, blue phosphorus, density functional theory, electronic properties, germanium phosphide, low band gap, phosphorene