Investigation on composition-dependent properties of Mg5Al23−5O27+5N5−5 (0 ≤ x ≤ 1): Part II. Mechanical properties via first-principles calculations combined with bond valence models

Due to the application in transparent windows, armors and domes, it is essential to have a deep insight into the mechanical properties of spinel-type MgAlON solid solution. Mg5xAl23−5xO27+5xN5−5x were chosen for the investigation of composition-dependent mechanical properties via combining first-principles calculations with bond valence models. The calculated mechanical properties showed a consistence with experimental values, supporting the...