Analysis of thermal conductivity of isotope germanium by molecular dynamics

Abstract

Thermal conductivity of solid germanium as a function of the mole fraction of isotopes was investigated by equilibrium molecular dynamics. We employed the molecular dynamics based on Green-Kubo\u27s formula in which the autocorrelation function of heat flux was integrated as a function of duration time. The results of calculation showed that thermal conductivity of mixed isotope-germanium is smaller than that of pure isotope germanium, which is similar to silicon case. The results also showed that thermal conductivity of two-mixed isotope-germanium is a function of the difference of two masses