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

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

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

Afiliación

Wu J; School of Physics and Technology, Center for Quantum Transport and Thermal Energy Science, Nanjing Normal University, Nanjing 210023, China.
Guo R; Yancheng Kangju Road Junior Middle School, Yancheng 224000, China.
Wu D; School of Physics and Technology, Center for Quantum Transport and Thermal Energy Science, Nanjing Normal University, Nanjing 210023, China.
Li X; School of Marine Science and Engineering, Hainan Provincial Key Lab of Fine Chemistry, School of Chemical Engineering and Technology, Hainan University, Haikou 570228, China.
Wu X; School of Physics and Technology, Center for Quantum Transport and Thermal Energy Science, Nanjing Normal University, Nanjing 210023, China.

J Phys Chem Lett ; 15(8): 2293-2300, 2024 Feb 29.

Article en En | MEDLINE | ID: mdl-38386013

ABSTRACT

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 (TC) 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.

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2024 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos

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