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Two-Dimensional Co2S2 monolayer with robust ferromagnetism.

ABSTRACT: 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.

SUBMITTER: Zhang Y

PROVIDER: S-EPMC5700059 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Two-Dimensional Co2S2 monolayer with robust ferromagnetism.

Zhang Yun Y Pang Jingman J Zhang Meiguang M Gu Xiao X Huang Li L

Scientific reports 20171122 1

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 ...[more]

PMID: 29167473

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