抄録
Sharp decrease and existence of the minimum of the thermal conductivity (TC) of a graphene/hexagonal boron nitride (hBN) heterobilayer due to interlayer sp3 bonds are demonstarted via nonequilibrium molecular dynamics simulation. Since interlayer sp3 bonds act as phonon scatterers, the TC sharply falls if there are a small number of them. As their number increases, their role as a fastener of the two layers becomes more and more significant, as a result of which the heterobilayer becomes a quasi three-dimensional structure and its TC begins to increase again. This is confirmed by examining the phonon density of states (DOSs) in the heterobilayer with/without interlayer sp3 bonds.