An investigation of thermal conductivity of isotope silicon as a function of temperature estimated by molecular dynamics

We investigated the effect of isotope concentration on thermal conductivity of silicon as a function of temperature by using equilibrium molecular dynamics simulation. It was found that thermal conductivity of silicon crystals was increased by purification of isotopes of a temperature near room temperature. At a temperature around 1000 K, the degradation of thermal conductivity based on the thermal effect became more dominant than that based on the isotope effect. Therefore, the discrepancy in thermal conductivities of silicon crystals with different isotope concentrations decreased.