Two-dimensional multiferroic NbPc covalent organic framework with strong magnetoelectric coupling and room-temperature ferroelectricity

作     者：Wei Li Dongyang Zhu Shuai Dong Jun-Jie Zhang 

作者机构：Key Laboratory of Quantum Materials and Devices of Ministry of Education School of Physics Southeast University Nanjing 211189 China Department of Chemical and Biomolecular Engineering Rice University Houston Texas 77005 USA Department of Materials Science and NanoEngineering Rice University Houston Texas 77005 USA 

出 版 物：《Physical Review B》 (Phys. Rev. B)

年 卷 期：2025年第111卷第3期

页      面：035439-035439页

核心收录：

基　　金：Ministry of Education of the People's Republic of China, MOE open research fund of Key Laboratory of Quantum Materials and Devices Southeast University, SEU National Natural Science Foundation of China, NSFC, (12404102) National Natural Science Foundation of China, NSFC Natural Science Foundation of Jiangsu Province, (BK20230806) Natural Science Foundation of Jiangsu Province Southeast University Interdisciplinary Research Program for Young Scholars, (2024FGC1008) 

主　　题：Ferroelectricity 

摘      要：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.