First-Principles Calculations on the Mechanical and Thermal Properties of HfSiO4

Zhidong Ding
Hafnium orthosilicate (HfSiO4: hafnon) has been proposed as an environmental barrier coating (EBC) material to protect silicon and silicon-based ceramic materials at high temperatures and as a candidate dielectric material in microelectronic devices. It can naturally form at the interface between silicon dioxide (SiO2) and hafnia (HfO2). When used as an EBC, its coefficient of thermal expansion (CTE) should match that of the protecting layer (e.g. silicon and SiC composites). The EBCs with low thermal...
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