The electronic, optical, and thermodynamical properties of tetragonal, monoclinic, and orthorhombic M3N4 (M = Si, Ge, Sn): A first-principles study

The electronic, optical, and thermodynamical properties of tetragonal, monoclinic, and orthorhombic M₃N₄ (M = Si, Ge, Sn): A first-principles study

Chen Dong^{1, †}, Cheng Ke², Qi Bei-Ying¹

(color online) Total density of states for t-M₃N₄ (M=Si, Ge, Sn) (a), partial density of states for t-Sn₃N₄ (b), t-Ge₃N₄ (c), and t-Si₃N₄ (d). In panels (b), (c), and (d), the red/dashed, black/solid, green/dashed, and blue/dashed curves represent the M-s, M-p, N-s, and N-p states, respectively.