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

Yu Jing, Yandong Ma, Yafei Li, Thomas Heine

Research output: Contribution to journalArticlepeer-review

165 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)1833-1838
Number of pages6
JournalNano letters
Volume17
Issue number3
DOIs
Publication statusPublished - 2017 Mar 8

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering

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