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Wang, Lei; Shi, Yongpeng; Liu, Mingfeng; Yi-Lun, Hong; Ming-Xing, Chen; Li, Ronghan; Gao, Qiang; Ren, Wencai; Hui-Ming, Cheng; Li, Yiyi; Xing-Qiu, Chen
arXiv.org, 08/2020Paper
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 \(\alpha_i\)- and \(\beta_i\)-\(MA_2Z_4\) monolayer family (\emph{i} = 1 to 6) by intercalating MoS\(_2\)-type $MZ$$_2\( monolayer into InSe-type A\)_2\(Z\)_2\( monolayer. Besides reproducing the experimentally synthesized \)\alpha_1\(-MoSi\)_2\(N\)_4\(, \)\alpha_1\(-WSi\)_2\(N\)_4\( and \)\beta_5\(-MnBi\)_2\(Te\)_4\( monolayer materials, another 66 thermodynamically and dynamically stable \)MA_2Z_4\( were predicted, which span a wide range of properties upon the number of valence electrons (VEC). \)MA_2Z_4\( with the rules of 32 or 34 VEC are mostly semiconductors with direct or indirect band gap and, however, with 33 VEC are generally metal, half-metal ferromagnetism, or spin-gapless semiconductor upon whether or not an unpaired electron is spin polarized. Moreover, we propose \)\alpha_2\(-WSi\)_2\(P\)_4\( for the spin-valley polarization, \)\alpha_1\(-TaSi\)_2\(N\)_4\( for Ising superconductor and \)\beta_2\(-SrGa\)_2\(Se\)_4$ for topological insulator.
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in: SICRIS
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