cP4-Cu3N (Inverse)

cP4–Cu3N (Inverse)

../_images/structure262.jpg

Image of cP4–Cu3N (Inverse), generated by Vesta

Lattice Vectors:

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

Space Group: 221

Point Group of Structure: \(m\bar{3}m\)

Structure DOI: https://doi.org/10.1016/j.ssc.2010.06.012

Source: Inorganic Crystallographic Database #167836

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16258.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14258.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12217.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10167.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-8109.png

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

Gap between Bands 5-6

Below is the band structure and isosurface of cP4–Cu3N (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.43\) and filling fraction \(\phi = 0.173\).

../_images/band_diagram_b=517.jpg

Band Structure across first Brillouin Zone.

../_images/cP4-Cu3N_r@gap_5-6.png

View along \(a_1\).