Structure-driven intercalated architecture of septuple-atomic-layer $MA_2Z_4$ family with diverse properties from semiconductor to topological insulator to Ising superconductor

Motivated by the fact that septuple-atomic-layer MnBi $_{2}$ Te $_{4}$ can be structurally viewed as the combination of double-atomic-layer MnTe intercalating into quintuple-atomic-layer Bi $_{2}$ Te $_{3}$ , we present a general approach of constructing twelve septuple-atomic-layer $α_{i}$ - and $β_{i}$ - $M A_{2} Z_{4}$ monolayer family (\emph{i} = 1 to 6) by intercalating MoS $_{2}$ -type $M Z$ $_{2}$ monolayer into InSe-type A $_{2}$ Z $_{2}$ monolayer. Besides reproducing the experimentally synthesized $α_{1}$ -MoSi $_{2}$ N $_{4}$ , $α_{1}$ -WSi $_{2}$ N $_{4}$ and $β_{5}$ -MnBi $_{2}$ Te $_{4}$ monolayer materials, another 66 thermodynamically and dynamically stable $M A_{2} Z_{4}$ were predicted, which span a wide range of properties upon the number of valence electrons (VEC). $M A_{2} Z_{4}$ with the rules of 32 or 34 VEC are mostly semiconductors with direct or indirect band gap and, however, with 33 VEC are generally metal, half-metal ferromagnetism, or spin-gapless semiconductor upon whether or not an unpaired electron is spin polarized. Moreover, we propose $α_{2}$ -WSi $_{2}$ P $_{4}$ for the spin-valley polarization, $α_{1}$ -TaSi $_{2}$ N $_{4}$ for Ising superconductor and $β_{2}$ -SrGa $_{2}$ Se $_{4}$ for topological insulator.

Structure-driven intercalated architecture of septuple-atomic-layer $M A_{2} Z_{4}$ family with diverse properties from semiconductor to topological insulator to Ising superconductor

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Structure-driven intercalated architecture of septuple-atomic-layer $M A_{2} Z_{4}$ family with diverse properties from semiconductor to topological insulator to Ising superconductor

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Structure-driven intercalated architecture of septuple-atomic-layer MA2Z4MA2​Z4​ family with diverse properties from semiconductor to topological insulator to Ising superconductor

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Structure-driven intercalated architecture of septuple-atomic-layer MA2Z4MA2​Z4​ family with diverse properties from semiconductor to topological insulator to Ising superconductor

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Structure-driven intercalated architecture of septuple-atomic-layer $M A_{2} Z_{4}$ family with diverse properties from semiconductor to topological insulator to Ising superconductor

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Structure-driven intercalated architecture of septuple-atomic-layer $M A_{2} Z_{4}$ family with diverse properties from semiconductor to topological insulator to Ising superconductor

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