Because the van der Waals (vdW) heterostructure offers unusual physical properties that can pave new ways toward design of nanoelectronic and optoelectronic devices, we have studied the electronic structures of C₂N/germanane vdW heterostructures under vertical electric field and strain using density functional theory (DFT). It is found that metal-semiconductor phase transitions occurred at −0.4 and 0.8 V/Å and band alignment transitions from type-Ⅱ to type-Ⅰ appeared at 0.1 and 0.4 V/Å. Furthermore, we also found that band alignment transition from type-Ⅱ to type-Ⅰ emerged under in-plane biaxial strain of 3%. Our results indicated that C₂N/germanane vdW heterostructures may offer a wide range of applications in new nanoelectronic and optoelectronic devices.

由于范德华（vdW）异质结构提供了异常的物理特性，可以为纳米电子和光电器件的设计铺平道路，因此，我们使用密度泛函理论研究了垂直电场和应变下C ₂ N /锗烷vdW异质结构的电子结构（DFT）。发现金属-半导体的相变出现在-0.4和0.8 V /Å，从Ⅱ型到Ⅰ型的能带取向跃迁出现在0.1和0.4 V /Å。此外，我们还发现，在平面内双轴应变为3％时，出现了从Ⅱ型到Ⅰ型的能带取向转变。我们的结果表明，C ₂ N /锗烷vdW异质结构可能在新型纳米电子和光电器件中提供广泛的应用。