Interface engineering and tunable contacts in two-dimensional GeC5/C3N4 van der Waals heterostructures under electric gating

Chúng tôi vui mừng thông báo rằng PGS.TS. Nguyễn Xuân Sáng và các đồng nghiệp đã xuất bản công trình có tựa đề “Interface engineering and tunable contacts in two-dimensional GeC5/C3N4 van der Waals heterostructures under electric gating” trên tạp chí Diamond and Related Materials.

Tóm tắt:

Stacking 2D materials to design van der Waals heterostructures has proven to be a powerful strategy for tailoring band engineering and unlocking new possibilities for next‑generation electronic applications. In this work, we systematically investigate the contact engineering between two‑dimensional metallic germa‑graphene (GeC₅) and the semiconductor C₃N₄, focusing on the electronic properties and interfacial behavior of the engineered van der Waals GeC₅/C₃N₄ heterostructure via first‑principles calculations. Our results confirm that the heterostructure is energetically, thermally, and mechanically stable. Compared to its individual monolayers, the GeC₅/C₃N₄ heterostructure exhibits enhanced elastic constants and Young’s modulus, demonstrating improved mechanical robustness. At equilibrium, tunable Schottky contact barriers emerge, which are further modulated by external electric gating. This electric gating enables reversible switching of contact types, transitioning from p‑type to n‑type and from Schottky to Ohmic contact. These findings underscore the GeC₅/C₃N₄ heterostructure as a promising candidate for next‑generation electronic devices.