In recent years, the rapid development of two-dimensional magnetic materials has revolutionized the field of spintronics, driven by their unique ability to combine magnetism and electronic functionality at the atomic scale. Here, we investigate the monolayer CuCr2Se2X2 (X = Cl, Br, I), which exhibit robust ferromagnetic (FM) behavior and half-metallicity with 100% spin polarization. The strong FM coupling, mediated by superexchange interactions, is rooted in the unique electronic structure of the Cr d-orbitals. Our findings reveal high Curie temperatures (TC) exceeding room temperature, with the Br variant achieving a remarkable 586 K. These exceptional properties, including the ability to modulate exchange interactions through strain engineering, highlight CuCr2Se2X2 as a versatile platform for flexible, high-performance spintronic devices, paving the way for advancements in next-generation electronic applications.
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http://dx.doi.org/10.1088/1361-648X/adbeb0 | DOI Listing |
J Phys Condens Matter
March 2025
Yanshan University, No. 438 West Hebei Avenue, Qinhuangdao, Hebei 066004, P. R. China, Qinhuangdao, Hebei, 066000, CHINA.
In recent years, the rapid development of two-dimensional magnetic materials has revolutionized the field of spintronics, driven by their unique ability to combine magnetism and electronic functionality at the atomic scale. Here, we investigate the monolayer CuCr2Se2X2 (X = Cl, Br, I), which exhibit robust ferromagnetic (FM) behavior and half-metallicity with 100% spin polarization. The strong FM coupling, mediated by superexchange interactions, is rooted in the unique electronic structure of the Cr d-orbitals.
View Article and Find Full Text PDFPhys Chem Chem Phys
July 2024
College of Physics and Electronic Information, Inner Mongolia Normal University, Hohhot, 010022, China.
The discovery of novel two-dimensional (2D) half-metallic materials with a robust ferromagnetic (FM) order and a high Curie temperature () is attractive for the advancement of next-generation spintronic devices. Here, we propose a monolayer with stable 2D intrinsic FM half-metallicity, , the CrScTe monolayer, which was constructed by intercalating a monolayer of 1T-CrTe-type sandwiched between two layers of 2H-ScTe monolayers. Our calculations reveal that it exhibits exceptional dynamical, thermal, and mechanical stabilities accompanied by a robust half-metallicity characterized by a wide bandgap of 1.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
September 2024
Key Laboratory of In-Fiber Integrated Optics (Ministry of Education), College of Physics and Optoelectronic Engineering, Harbin Engineering University, Harbin, 150001, China.
Photorechargeable zinc ion batteries (PZIBs), which can directly harvest and store solar energy, are promising technologies for the development of a renewable energy society. However, the incompatibility requirement between narrow band gap and wide coverage has raised severe challenges for high-efficiency dual-functional photocathodes. Herein, half-metallic vanadium (III) oxide (VO) was first reported as a dual-functional photocathode for PZIBs.
View Article and Find Full Text PDFPhys Chem Chem Phys
May 2024
Yangtze Delta Region Institute (Huzhou), University of Electronic Science and Technology of China, Huzhou 313001, China.
Intrinsic half-metallic nanomaterials with 100% spin polarization are highly demanded for next-generation spintronic devices. Here, by using first-principles calculations, we have designed a class of new two-dimensional (2D) p-type half-metals, MSiN (M = Al, Ga, In and Tl), which show high mechanical, thermal and dynamic stabilities. MSiN not only have ultrawide electronic bandgaps for spin-up channels in the range of 4.
View Article and Find Full Text PDFPhys Chem Chem Phys
November 2023
Centre for Advanced Optoelectronic Functional Materials Research and Key Laboratory for UV Light-Emitting Materials and Technology of Ministry of Education, Northeast Normal University, Changchun 130024, China.
The search for intrinsic half-metallic ferromagnetic (FM) monolayers with a high Curie temperature (), considerable magnetic anisotropy energy (MAE), and multiferroic coupling is key for the development of ultra-compact spintronics. Here, we have identified a new stable FM Janus monolayer, the tetrahedral CrSSe, through first-principles structural search calculations, which not only exhibits very interesting magnetoelectric properties with a high of 790 K, a large MAE of 0.622 meV per Cr, and robust half-metallicity, but also shows obvious ferroelasticity with a modest energy barrier of 0.
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