A Calorimetric Study Assisted with First Principle Calculations of Specific Heat for Si-Ge Alloys within a Broad Temperature Range

Abstract

Calorimetric measurements are performed to determine the specific heat of Si-x at.% Ge (where x = 0, 10, 30, 50, 70, 90 and 100) alloys within a broad temperature range from 123 to 823 K. The measured specific heat increases dramatically at low temperatures, and the composition dependence of specific heat is evaluated from the experimental results. Meanwhile, the specific heat at constant volume, the thermal expansion, and the bulk modulus of Si and Ge are investigated by the first principle calculations combined with the quasiharmonic approximation. The negative thermal expansion is observed for both Si and Ge. Furthermore, the isobaric specific heat of Si and Ge is calculated correspondingly from 0 K to their melting points, which is verified by the measured results and accounts for the temperature dependence in a still boarder range.