Robust conductivity of goldene against structural defects and mechanical deformations: a first-principles study

A key challenge in flexible electronics is identifying materials that maintain high electrical conductivity under mechanical deformations. Low-dimensional materials like graphene offer substantial benefits due to their mechanical robustness and high conductivity. However, their electrical performance is significantly compromised by mechanical stresses and structural defects such as vacancies and dislocations. Here, we study the effects of structural defects and mechanical deformations on the electronic transport properties of goldene, a single-layer of hexagonally arranged gold atoms, to explore its potential for flexible electronics. Our quantum transport calculations reveal that goldene maintains its conductivity effectively, exhibiting only a 1.7% reduction in conductance under a tensile strain of 5%. Additionally, the introduction of single-vacancy and divacancy defects results in conductance reductions of only 2% and 3%, respectively. Most importantly, goldene’s conductivity remains robust under both bending and twisting, distinguishing it from graphene and positioning it as an outstanding candidate for flexible nanoelectronics.