Two-dimensional multiferroic metal with voltage-tunable magnetization and metallicity
arXiv:2103.10238 · doi:10.1039/d1mh00939g
Abstract
We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high density of states near the Fermi level. The strong magnetoelectric effect is demonstrated in hole-doped and arsenic-doped monolayer α-In2Se3 using first-principles calculations. Taking advantage of the oppositely charged surfaces created by an out-of-plane polarization, the 2D magnetization and metallicity can be electrically switched on and off in an asymmetrically doped monolayer. The substitutional arsenic defect pair exhibits an intriguing electric field-tunable charge disproportionation process accompanied with an on-off switch of local magnetic moments. The charge ordering process can be controlled by tuning the relative strength of on-site Coulomb repulsion and defect dipole-polarization coupling via strain engineering. Our design principle relying on no transition metal broadens the materials design space for 2D multiferroic metals.
23 pages,5 figures
References in corpus (9)
- Electric Field Effect in Atomically Thin Carbon Films
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Out-of-plane Piezoelectricity and Ferroelectricity in Layered -In2Se3 Nano-flakes
- Tunable Magnetism and Half-Metallicity in Hole-doped Monolayer GaSe
- Two-Dimensional Hyperferroelectric Metals: a Different Route to Ferromagnetic-Ferroelectric Multiferroics
- Ferroelectric Instability under Screened Coulomb Interactions
- Improved tetrahedron method for the Brillouin-zone integration applicable to response functions
- Ferroelectricity with Asymmetric Hysteresis in Metallic LiOsO3 Ultrathin Films
- Tunable magnetism in ferroelectric α-In2Se3 by hole-doping