Mechanical and Thermal Properties of the Hf–Si System: First-Principles Calculations

Abstract

The relatively low melting point of a traditional Si bonding layer limits the upper servicing temperature of environmental barrier coatings (EBC). To explore suitable high temperature bonding layers and expedite the development of EBC, first-principles calculation was used to evaluate the mechanical properties and thermal conductivity of HfSi2, HfSi, Hf5Si4, Hf3Si2, and Hf2Si with much higher melting points than that of Si. Among them, HfSi2 has the lowest modulus capable of good modulus matching with SiC substrate. In addition, these Hf-Si compounds have much lower high temperature thermal conductivity with Hf2Si being the lowest of 0.63 W m−1 K−1, which is only half of Si, capable of improved heat insulation.