tP20-ZnNiC4N4 (Direct)

tP20–ZnNiC₄N₄ (Direct)

Image of tP20–ZnNiC₄N₄ (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 1.7522893933~\hat{z}\\\end{split}\]

Space Group: 131

Point Group of Structure: \(4/mmm\)

Structure DOI: https://doi.org/10.1039/c1ce05699a

Source: Crystallographic Open Database #7206570

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

Gap Atlas for \(\varepsilon\) = 16 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 14\)

Gap Atlas for \(\varepsilon\) = 14 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 12\)

Gap Atlas for \(\varepsilon\) = 12 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 10\)

Gap Atlas for \(\varepsilon\) = 10 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 8\)

Gap Atlas for \(\varepsilon\) = 8 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 4-5

Below is the band structure and isosurface of tP20–ZnNiC₄N₄ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.18\) and filling fraction \(\phi = 0.209\).

Band Structure across first Brillouin Zone.

View along \(a_1\).