MSene: A new large family of two-dimensional transition metal sulfide with MXene structure
arxiv(2024)
摘要
Nowadays, discovering new two-dimensional (2D) materials with unique
properties and potential applications remains a focus in condensed matter
physics. Here, based on first-principles calculations, we report a new large
family of transition metal sulfides M2S with MXene structure in 2H and 1T
phases, which we name as MSene. Twenty-four out of fifty-eight MSenes are
proved to be stable. Notably, this family includes twelve superconducting (SC)
materials, seven SC topological metals (SCTMs), four charge density wave (CDW)
materials, and five magnetic materials including one ferromagnetic (FM) and
four antiferromagnetic (AFM) materials. For example, 2H-W2S is a SCTM which
exhibits SC transition temperature (Tc) of 12.4 K and nontrivial topological
properties as evidenced by topological invariant Z2=1 and the presence of edge
states; 1T-Hf2S is a CDW material with the CDW originating from electron-phonon
coupling. The CDW can be suppressed by compressive strain, leading to the
emergence of superconductivity; 2H-Cr2S and 1T-Mn2S show FM and AFM properties,
respectively. Thus, the new large family we predicted shows rich physical
properties and significantly expands the repertoire of 2D materials. It serves
as a novel platform for investigating the competition or coexistence of
multiple orders such as SC, CDW, FM, AFM and topological orders in 2D
materials.
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