Qiao Shu-Xiang, Sui Chang-Hao, Yang Liu, Li Ya-Ping, Sun Yu-Xin, Zhang Nai-Xin, Bai Jia-Qi, Jiao Na, Lu Hong-Yan
School of Physics and Physical Engineering, Qufu Normal University, Qufu, 273165, China.
Phys Chem Chem Phys. 2022 Nov 2;24(42):25767-25772. doi: 10.1039/d2cp03155h.
As an allotrope of graphene, T-graphene was predicted to be an intrinsic two-dimensional (2D) superconductor with a superconducting critical temperature () of about 20.8 K [Gu , Chin. Phys. Lett. , 097401 (2019)]. In this work, based on first-principles calculations, hole doping and biaxial tensile strain (BTS) are considered to modulate the electron-phonon coupling (EPC) and superconductivity of T-graphene. It is found that the EPC constant of T-graphene is 0.807 and the calculated critical temperature is 28.2 K at a doping level of 0.5 hole per unit cell (3.31 × 10 cm) and 12% BTS. Furthermore, when 0.8 hole per unit cell (5.43 × 10 cm) doping and 10% BTS are applied, the EPC constant is 0.939, and the can be boosted to 35.2 K, which is higher than those of the pristine T-graphene and many other 2D carbon-based superconductors.
作为石墨烯的一种同素异形体，T型石墨烯被预测为一种本征二维（2D）超导体，其超导临界温度（）约为20.8 K [Gu，《中国物理快报》，097401 (2019)]。在这项工作中，基于第一性原理计算，考虑通过空穴掺杂和双轴拉伸应变（BTS）来调节T型石墨烯的电子 - 声子耦合（EPC）和超导性。研究发现，在每晶胞0.5个空穴（3.31×10 cm）的掺杂水平和12%的双轴拉伸应变下，T型石墨烯的EPC常数为0.807，计算得到的临界温度为28.2 K。此外，当施加每晶胞0.8个空穴（5.43×10 cm）的掺杂和10%的双轴拉伸应变时，EPC常数为0.939，临界温度可提高到35.2 K，这高于原始T型石墨烯和许多其他二维碳基超导体的临界温度。
