Two-dimensional multiferroic NbPc COF with strong magnetoelectric coupling and room-temperature ferroelectricity

Abstract

The realization of two-dimensional multiferroics offers significant potential for nanoscale device functionality. However, type-I two-dimensional multiferroics with strong magnetoelectric coupling, enabling electric field control of spin, remain scarce. In this study, using density functional theory and Monte Carlo simulations, we predict that the niobium phthalocyanine covalent organic framework (NbPc COF) monolayer exhibits type-I multiferroic behavior, with a ferroelectric transition occurring above room temperature. Remarkably, the strong magnetoelectric coupling in NbPc COF monolayer arises from the same origin of magnetism and ferroelectricity. Our findings offer flexible pathways for the design and development of organic nanoscale multiferroic devices with broad applications.

12 pages, 5 figures

References in corpus (7)

• Canonical sampling through velocity-rescaling
• Out-of-plane Piezoelectricity and Ferroelectricity in Layered $\alpha$-In2Se3 Nano-flakes
• Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach
• Type-II multiferroic Hf${}_2$VC${}_2$F${}_2$ MXene monolayer with high transition temperature
• Two-Dimensional Hyperferroelectric Metals: a Different Route to Ferromagnetic-Ferroelectric Multiferroics
• Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds
• Multiferroic nitride perovskites with giant polarizations and large magnetic moments