Layered stacking characteristics of ternary zirconium aluminum carbides

Layered stacking characteristics of ternary Zr–Al–C carbides were investigated using scanning transmission electron microscopy (STEM). Three previously unknown compounds, i.e., Zr4Al3C6, Zr5Al6C9, and Zr7Al6C11 were identified. The present study extends the structural information of ternary Zr–Al–C ceramics. The influence of the thickness of the NaCl-type Zr-C slab on the elastic properties of ternary Zr–Al–C ceramics is discussed based on first-principles calculations. In addition, direct atomic-resolution observations illustrate the process for forming the unique layered crystal structures of ternary Zr–Al–C ceramics. These results also provide insights into the formation mechanism of layered ternary Zr–Al–C carbides.