Ti₃AuC₂ MAX相/4H-SiC异质结构界面与输运特性在高温功率器件应用中的理论研究

High-quality electrical contact is a long-standing requirement in high-temperature electronic device applications. However, traditional metals are no longer able to satisfy the increasing demands due to performance degradation. Fortunately, the emerging MAX phase metals show favorable electrical properties. In this article, we examined the structural stability and mechanical properties of Ti3AuC2 and then systematically investigated the atomic structure, electronic, and transport properties of the Ti3AuC2/4H-SiC interface by first-principles calculations. The Ti3AuC2 phase exhibits a metallic character and shows excellent thermal stability and mechanical properties, which are applicable to high-temperature scenarios. Different interface geometries based on the stacking sequences are considered, which show that the local bonding of the interface can effectively tune the interfacial contact characteristic and lower the Schottky barrier height (SBH). The transport calculations of device models further show that the Ti3AuC2 phase can achieve favorable ohmic contacts to 4H-SiC. All the results aim to understand the local structures and electronic properties of the Ti3AuC2/4H-SiC interface and develop novel high-performance contact electrodes for high-temperature power electronics.