Thermal conduction in amorphous/crystalline silicon superlattices: A molecular dynamics study of the size, temperature, and strain effect

The size, temperature and strain effect on thermal conduction of amorphous/crystalline silicon superlattices were discussed by using atomic simulation. The addition of amorphous phase layer would greatly reduce the thermal conductivity of superlattices. When the temperature increases, the thermal conductivity will increase and the Kapitza resistance will decrease. As the strain change from compression to tension, the Kapitza resistance increases and the thermal conductivity decreases at both compression and tension. The overlap factors of vibration spectra at the interface are used to explain the effect of strain on the interfacial heat transfer. Our work exhibits the potential for modulating the thermal properties of the amorphous/crystalline silicon superlattices by introducing external factors like strain and temperature.