Size-dependent ferroelectric-to-paraelectric sliding transformations and antipolar-to-ferroelectric topological phase transitions in binary homobilayers

Alejandro Pacheco-Sanjuan; Pradeep Kumar; Salvador Barraza-Lopez

doi:10.1103/PhysRevB.84.085409

Paper details

Research paper

Computational MD

Size-dependent ferroelectric-to-paraelectric sliding transformations and antipolar-to-ferroelectric topological phase transitions in binary homobilayers

Alejandro Pacheco-Sanjuan, Pradeep Kumar, Salvador Barraza-Lopez

arXiv·2024·arXiv:2403.12175

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Simulated ferroelectric hBN bilayer with AA relative configuration and 200 atoms.

No measurements recorded

h-BNStudied Material

Simulated ferroelectric hBN bilayer with AA relative configuration and 400 atoms.

No measurements recorded

h-BNStudied Material

Simulated ferroelectric hBN bilayer with 60° relative rotation (δ = 0°), 3408 atoms.

No measurements recorded

h-BNStudied Material

Simulated moiré antipolar hBN bilayer with relative rotation δ = 1.02° and 50,444 atoms.

No measurements recorded

h-BNStudied Material

Simulated moiré antipolar hBN bilayer with relative rotation δ = 2.01° and 12,944 atoms.

No measurements recorded

h-BNStudied Material

Simulated moiré antipolar hBN bilayer with relative rotation δ = 3.15° and 5,216 atoms.

No measurements recorded

h-BNStudied Material

Simulated moiré antipolar hBN bilayer with relative rotation δ = 3.89° and 3,408 atoms.

No measurements recorded

h-BNStudied Material

Materials

hexagonal boron nitride

h-BN

Studied Material

Also known as

hBNh-BN

studied material

Simulations

Classical molecular dynamics with Tersoff intralayer potential and anisotropic interlayer potential (ILP) for h-BN; velocity Verlet integration; NPT equilibration followed by NVE production.

Why these are connected

Related documents with shared materials, methods, properties, or citations.

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