Turning Nonmagnetic Two-Dimensional Molybdenum Disulfides into Room-Temperature Ferromagnets by the Synergistic Effect of Lattice Stretching and Charge Injection

Abstract

Exploring two-dimensional (2D) room-temperature magnetic materials in the field of 2D spintronics remains a formidable challenge. The vast array of nonmagnetic 2D materials provides abundant resources for exploration, but the strategy to convert them into intrinsic room-temperature magnets remains elusive. To address this challenge, we present a general strategy based on surface halogenation for the transition from nonmagnetism to intrinsic room-temperature ferromagnetism in 2D MoS 2 based on first-principles calculations. The derived 2D halogenated MoS 2 are half-semimetals with a high Curie temperature (T C ) of 430−589 K and excellent stability. In-depth mechanistic studies revealed that this marvelous nonmagnetism-to-ferromagnetism transition originates from the modulation of the splitting as well as the occupation of the Mo d orbitals by the synergy of lattice stretching and charge injection induced by the surface halogenation. This work establishes a promising route for exploring 2D room-temperature magnetic materials from the abundant pool of 2D nonmagnetic counterparts.

Introduction and Advancements in Room-Temperature Ferromagnetic Metal Oxide Semiconductors for Enhanced Photocatalytic Performance

“…Prospective solutions and current research endeavors to address these challenges include: Developing novel materials with tailored crystal structures and electronic configurations to enhance magnetic stability and promote ferromagnetism at higher temperatures [143][144][145][146]. For instance, exploring spinel structures or multiferroic materials with coupled magnetic and ferroelectric order may offer new avenues for room-temperature ferromagnetism [147].…”