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. 2020 Sep 8;11:4492. doi: 10.1038/s41467-020-17951-6

Fig. 5. Li3N monolayer configurations and electronic structures determined from density functional theory calculations.

Fig. 5

Calculated Li3N monolayer structures of: a form 1; b form 2; c comparison of the total DOS for bulk Li3N (black) with form 1 (blue) and 2 (magenta) monolayers, respectively; d evolution of the total DOS for increasing numbers of Li3N layers (2 (blue), 4 (green), 6 (yellow) and 20 (magenta)) as compared to that of the bulk material (black).