Excellent Hole Mobility and Out-of-Plane Piezoelectricity in X-Penta-Graphene (X = Si or Ge) with Poisson's Ratio Inversion.

ABSTRACT: Recently, the application of two-dimensional (2D) piezoelectric materials has been seriously hindered because most of them possess only in-plane piezoelectricity but lack out-of-plane piezoelectricity. In this work, using first-principles calculation, by atomic substitution of penta-graphene (PG) with tiny out-of-plane piezoelectricity, we design and predict stable 2D X-PG (X = Si or Ge) semiconductors with excellent in-plane and out-of-plane piezoelectricity and extremely high in-plane hole mobility. Among them, Ge-PG exhibits better performance in all aspects with an in-plane strain piezoelectric coefficient d₁₁ = 8.43 pm/V, an out-of-plane strain piezoelectric coefficient d₃₃ = -3.63 pm/V, and in-plane hole mobility μ_h = 57.33 × 10

SUBMITTER: Liu S 

PROVIDER: S-EPMC11357275 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature