Ferroelectricity, Multiferroics, and Enhanced Magnetoelectric Effect in Single-Atomic Layers
Abstract
Using the reliable first-principles simulations based on the modern theory ofpolarization, the team will investigate a wide range of ferroic effects in a new family of van derWaals materials, the metal phosphorus trichalcogenides (MPX3s). This research plan includes the following projects: 1) We will predict of the robust monolayer ferroelectric 2D semiconductors withspontaneous off-plane polarization. 2) Beyond monolayer ferroelectricity, we will show that multi-types of polarization, i.e., multiferroics, can be stably realized in monolayer MPX3s. In particular, because of the special triangular symmetries of metal-ion sublattices in MPX3s, frustrations may be of help to enhance the magnetoelectric coupling, giving rise to connecting intrinsic electric dipoles and magnetic dipoles in these multiferroic 2D materials. Meanwhile, we will employ the Monte Carlo simulations to find the corresponding Curie (Neel) temperatures of all above ferroic effects.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jul 28, 2017
- Source ID
- FA95501710304
Entities
People
- Li Yang
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- Washington University in St. Louis