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

Jing Wu; Ruyi Guo; Daoxiong Wu; Xiuling Li; Xiaojun Wu

doi:10.1021/acs.jpclett.3c03478

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

J Phys Chem Lett. 2024 Feb 29;15(8):2293-2300. doi: 10.1021/acs.jpclett.3c03478. Epub 2024 Feb 22.

Authors

Jing Wu^{1

2}, Ruyi Guo¹, Daoxiong Wu³, Xiuling Li^{1

4}, Xiaojun Wu⁵

Affiliations

¹ School of Physics and Technology, Center for Quantum Transport and Thermal Energy Science, Nanjing Normal University, Nanjing 210023, China.
² Yancheng Kangju Road Junior Middle School, Yancheng 224000, China.
³ School of Marine Science and Engineering, Hainan Provincial Key Lab of Fine Chemistry, School of Chemical Engineering and Technology, Hainan University, Haikou 570228, China.
⁴ National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China.
⁵ Hefei National Research Center for Physical Sciences at the Microscale, Collaborative Innovation Center of Chemistry for Energy Materials, CAS Key Laboratory of Materials for Energy Conversion, CAS Center for Excellence in Nanoscience, and School of Chemistry and Materials Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China.

PMID: 38386013
DOI: 10.1021/acs.jpclett.3c03478

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 MoS₂ based on first-principles calculations. The derived 2D halogenated MoS₂ 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.