Quintuple Function Integration in Two-Dimensional Cr(II) Five-Membered Heterocyclic Metal Organic Frameworks via Tuning Ligand Spin and Lattice Symmetry
Xiangyang Li, Xiangyang Li, Qingbo Liu, Yongsen Tang, Wei Li, Ning Ding, Zhao Liu, Hua‐Hua Fu, Shuai Dong, Xingxing Li, Xingxing Li, Jinlong Yang
Abstract
Two-dimensional (2D) semiconductors (SCs) integrated with two or more functions are the cornerstone for constructing multifunctional nanodevices but remain largely limited. Here, by tuning the spin state of organic linkers and the symmetry/topology of crystal lattices, we predict a class of unprecedented multifunctional SCs in 2D Cr(II) five-membered heterocyclic metal organic frameworks that simultaneously possess auxetic effect, room-temperature ferrimagnetism, chiral ferroelectricity (FE), electrically reversible spin polarization, and topological nodal lines/points. Taking 2D Cr(TDZ) 2 (TDZ = 1.2.5-thiadiazole) as an exemplification, the auxetic effect is produced by the antitetra-chiral lattice structure. The high temperature ferrimagnetism originates from the strong d - p direct magnetic exchange interaction between Cr cations and TDZ doublet radical anions. Meanwhile, the clockwise–counterclockwise alignment of TDZ’s dipoles results in unique 2D chiral FE with atomic-scale vortex–antivortex states. 2D Cr(TDZ) 2 is an intrinsic bipolar magnetic SC where half-metallic conduction with switchable spin-polarization direction can be induced by applying a gate voltage. In addition, the symmetry of the little group C 4 of the lattice structure endows 2D Cr(TDZ) 2 with topological nodal lines and a quadratic nodal point in the Brillouin zone near the Fermi level.