论文标题
由IV-V元素组成的新型二维材料的多功能物理特性
Versatile Physical Properties of a Novel Two-Dimensional Materials Composed of Group IV-V Elements
论文作者
论文摘要
由于二维（2D）材料及其异质结构的引人入胜的物理特征，已经大力努力探索其基本的物理特性，并发现其他新型2D材料。以下基于第一原理计算，我们提出了具有$ _2 $ b $ _2 $的新颖2D材料组，该组由IV组（a = c，si，ge或sn）和v（b = n，p，as，as，sb或bi）组成；该组与$ p \ bar {6} m2 $（$ \ MATHCAL {M} $ apep）和$ p \ bar {3} M1 $（$ \ Mathcal {i} $ sthos）Crymmetries形成两个稳定阶段。我们发现，根据其元素组成，总共有40种不同的自由主义A $ _2 $ b $ _2 $化合物是动态稳定的，并显示了多功能物理属性，例如绝缘，半导体或金属属性。我们的计算结果进一步表明，新提出的2D材料表达了高电气和热运输特性。此外，某些包含重元素的化合物由于强烈的自旋轨道相互作用而表现出非平凡的拓扑特性。
Owing to the fascinating physical characteristics of two-dimensional (2D) materials and their heterostructure, much effort has been devoted to exploring their basic physical properties as well as discovering other novel 2D materials. Herein, based on first-principles calculations, we propose novel 2D material groups with the form A$_2$B$_2$, composed of group IV (A = C, Si, Ge, or Sn) and V (B = N, P, As, Sb, or Bi) elements; the group forms two stable phases with the $P\bar{6}m2$ ($\mathcal{M}$ phase) and $P\bar{3}m1$ ($\mathcal{I}$ phase) crystal symmetries. We found that a total of 40 different freestanding A$_2$B$_2$ compounds were dynamically stable and displayed versatile physical properties, such as insulating, semiconducting, or metallic properties, depending on their elemental compositions. Our calculation results further revealed that the newly proposed 2D materials expressed high electrical and thermal transport properties. Additionally, some of the compounds that contained heavy elements exhibited non-trivial topological properties due to strong spin-orbit interactions.
