Robust two-dimensional ferroelectricity in single-layer γ-SbP and γ-SbAs

Area of Science:

• Materials Science
• Condensed Matter Physics
• Solid State Chemistry

Background:

• Two-dimensional (2D) ferroelectricity is a rapidly developing field with significant potential for future electronic applications.
• Discovering new materials with robust ferroelectric properties is crucial for technological advancement.

Purpose of the Study:

• To theoretically propose and investigate novel 2D ferroelectric materials.
• To explore the ferroelectric properties and phase transition mechanisms of single-layer γ-SbX (X = As, P).

Main Methods:

• First-principles calculations were employed to predict and analyze the electronic and structural properties.
• Landau theory was utilized to elucidate the ferroelectric phase transition mechanism.

Main Results:

• Single-layer γ-SbAs and γ-SbP were identified as promising 2D ferroelectric materials.
• Both materials exhibit significant in-plane spontaneous polarization (3.80 × 10-10 C m-1 for γ-SbAs, 3.47 × 10-10 C m-1 for γ-SbP).
• Ferroelectricity is maintained at high temperatures (700 K for γ-SbAs, 600 K for γ-SbP), well above room temperature.

Conclusions:

• Single-layer γ-SbX (X = As, P) are robust ferroelectric materials with high Curie temperatures.
• These materials hold great promise for applications in nonvolatile memory devices and nanoscale electronics.
• The study provides fundamental insights into the critical properties of 2D ferroelectric materials.