Theoretical and experimental results indicate that naturally the ultrathin nanofilms of some wurtzite (WZ) semiconductors will transform into a stable nonpolar graphitelike structure from the polar surface. Normally, the thicknesses are just limited to a few atomic layers. By epitaxial tensile strain, the thickness can be extended. In this work, employing the first-principles calculations focus on WZ materials ZnO, BeO, SiC, GaN, InN and AlN, we predicted that under a certain pressure with a weak electric field, their thickness range of forming graphitic nanofilms is greatly enlarged. This research provides theoretical guidance for the synthesis of new two-dimensional (2D) structures.

理论和实验结果表明，一些纤锌矿（WZ）半导体的超薄纳米薄膜自然会从极性表面转变为稳定的非极性类石墨结构。通常，厚度仅限于几个原子层。通过外延拉伸应变，可以扩展厚度。在这项工作中，我们利用第一性原理计算集中在 WZ 材料 ZnO、BeO、SiC、GaN、InN 和 AlN，我们预测在一定的压力和弱电场下，它们形成石墨纳米膜的厚度范围大大扩大。该研究为合成新的二维（2D）结构提供了理论指导。