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1.
Phys Chem Chem Phys ; 24(43): 26477-26484, 2022 Nov 09.
Artículo en Inglés | MEDLINE | ID: mdl-36300484

RESUMEN

Two-dimensional magnetic van der Waals materials provide a fertile platform for the design and control of topological spin textures such as skyrmions. However, despite studies reporting skyrmions in many 2D magnetic systems, those of the hosting van der Waals materials remain limited. Here, via first-principles calculations and Monte Carlo simulations, we propose BiCrX3 as a new family of materials for hosting skyrmions. Due to the large SOC of the X atom and intrinsic inversion asymmetry, an inherent large DMI occurs in all systems, enabling intriguing Néel-type skyrmions. Furthermore, upon applying a moderate magnetic field, isolated skyrmions and skyrmion lattices emerge in our systems, and are robust within a relatively wide temperature range.

2.
Sci Rep ; 7(1): 15993, 2017 11 22.
Artículo en Inglés | MEDLINE | ID: mdl-29167473

RESUMEN

Design and synthesis of two-dimensional (2D) materials with robust intrinsic ferromagnetism is highly desirable due to their potential applications in spintronics devices. In this work, we identify a new 2D cobalt sulfide (Co2S2) material by using first-principles calculations and particle swarm optimization (PSO) global structure search. We show that the 2D Co2S2 is most stable in the litharge type tetragonal structure with space group of P4/nmm. The elastic constants, phonon spectrum, and molecular dynamics simulation confirm its mechanical, dynamical and thermal stability, respectively. It is also found that Co2S2 monolayer is a ferromagnetic metal with a Curie temperature up to 404 K. In addition, we propose a feasible procedure to synthesize the Co2S2 monolayer by chemically exfoliating from bulk TlCo2S2 phase.

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