3.5 Results and Discussion
91
Fig. 3.15 a Partial electronic density of states as a function of M 17 , with contributions from N 3
−
(black) and Na + (blue). The relative energy of F at θ NNN = 180 o is shown as a red vertical
line in the perturbed structures. b Electronic band structures for NaN 3 with θ N N N = 180 ◦ and
θ N N N = 110 ◦ . F is marked with a dotted line. Figure from Ref. [2], https://doi.org/10.1039/C8C
P06161K. Copyright CC-BY
91
Fig. 3.15 a Partial electronic density of states as a function of M 17 , with contributions from N 3
−
(black) and Na + (blue). The relative energy of F at θ NNN = 180 o is shown as a red vertical
line in the perturbed structures. b Electronic band structures for NaN 3 with θ N N N = 180 ◦ and
θ N N N = 110 ◦ . F is marked with a dotted line. Figure from Ref. [2], https://doi.org/10.1039/C8C
P06161K. Copyright CC-BY