论文标题
结构驱动的隔膜 - 原子层的插入结构$ ma_2z_4 $家族具有从半导体到拓扑绝缘体再到ising超导体的多样性的家族
Structure-driven intercalated architecture of septuple-atomic-layer $MA_2Z_4$ family with diverse properties from semiconductor to topological insulator to Ising superconductor
论文作者
论文摘要
由于以下事实的激励是，可以将隔膜 - 原子级MNBI $ _2 $ _4 $ $ _4 $视为双重原子 - 层MNTE的组合，将量子插入成Quintuple-Layer bi $ $ _2 $ _2 $ _2 $ _3 $，我们呈现一般的septuple $ _3 $ - $β_I$ - $ ma_2z_4 $单层族（\ emph {i} = 1至6），通过将MOS $ _2 $ -Type $ -Type $ MZ $ _ 2 $单层插入Inse-type a $ _2 $ z $ _2 $ _2 $ noolayer。除了重现实验合成的$α_1$ -MOSI $ _2 $ _2 $ n $ _4 $，$α_1$ -WSI $ _2 $ _2 $ n $ n $ _4 $和$β_5$ -MNBI $ _2 $ _2 $ _2 $ _2 $ _4在价电子数（VEC）上。 $ MA_2Z_4 $具有32或34 VEC规则的$ MA_2Z_4 $，主要是具有直接或间接频带间隙的半导体，但是，在33 VEC的情况下，通常是金属，半米的铁磁性或无旋转隙的半导体，或者是在不合格的电子上是旋转的。此外，我们提出了$α_2$ -WSI $ _2 $ _2 $ p $ _4 $，用于自旋 - 瓦利极化，$α_1$ -TASI $ _2 $ _2 $ n $ n $ _4 $用于ISING SUPERCODCORTOR和$β_2$ -SRGA $ -SRGA $ _2 $ _2 $ _2 $ _2 $ _4 $ $ _4 $ $ _4 $。
Motivated by the fact that septuple-atomic-layer MnBi$_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 $β_i$-$MA_2Z_4$ 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 $α_1$-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 $MA_2Z_4$ 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 $α_2$-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.
