First-principles calculations of the AlN/Ti interface properties

AlN substrates are widely used in power modules and have high thermal conductivity and good insulation performance. In order to study the thermal stability of AlN substrates coated with the active metal, the AlN/Ti interface structure and the temperature dependence of the AlN layer orientation were investigated using the first principles calculations. The calculated work of separation and distance at elevated temperatures demonstrated good thermal stability of the interface. Elastic and shear modulus were calculated for the interface elastic anisotropy analysis and a certain orientation dependence was found. This study is helpful for the development of novel high-power microelectronic devices.