Geometrical structures, and electronic and transport properties of a novel two-dimensional β-GaS transparent conductor
β-GaS, two-dimensional material, transparent conductor, density functional theory, transport property
Two-dimensional (2D) materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent conducting material via adsorption of H on a 2D β-GaS sheet. This adsorption results in geometrical changes to the local structures around the H. The calculated electronic structures reveal metallic characteristics of the 2D β-GaS material upon H adsorption and a large optical band gap of 2.72 eV with a significant Burstein-Moss shift of 0.67 eV. The simulated electrical resistivity is as low as 10–4 Ω·cm, comparable to the benchmark for ITO thin films.
Tsinghua University Press
Zhangxian Chen,Liang Huang,Yongjie Xi,Ran Li,Wanchao Li,Guoqin Xu,Hansong Cheng, Geometrical structures, and electronic and transport properties of a novel two-dimensional β-GaS transparent conductor. NanoRes.2015, 8(10): 3177–3185