Fig. 3: Atomic character of the near band edge states of MoSi2N4. | npj Computational Materials

Fig. 3: Atomic character of the near band edge states of MoSi2N4.

From: Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N4

Fig. 3

a Decomposition of Bloch wave function of MoSi2N4 into atomic contributions, b the isosurface charge density plot \(( {\rho = 0.02e/{{{\mathrm{{\AA}}}}}^3})\) for the top of the valence band at the K point, and c the isosurface charge density plot for the bottom of the conduction band at the K point.

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