▎ 摘　　要

A first-principles calculation of the structural stability and mechanical property of Ni(111)-graphene-Ni(111) layered composite was presented. Three different structural models were considered, and the most stable interfacial structure had been determined with top-fcc structure in both sides of graphene. Stretching calculations demonstrate that the tensile stress of the composite can reach twice of that of pure Ni in the ranges of 0-0.2 strain. The Young's modulus in triaxial directions are 384 (x), 362 (y), and 303 (z) GPa for the Ni(111)-graphene-Ni(111) structure, and 212 (x), 251 (y), and 273 (z) GPa for pure single-crystal Ni(111). (C) 2015 The Japan Society of Applied Physics