cP138-Cd6Se7O (Inverse)

cP138–Cd6Se7O (Inverse)

../_images/structure32.jpg

Image of cP138–Cd6Se7O (Inverse), generated by Vesta

Lattice Vectors:

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

Space Group: 215

Point Group of Structure: \(\bar{43}m\)

Structure DOI: https://doi.org/10.1021/jacs.6b10490

Source: Crystallographic Open Database #4125830

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-1632.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-1432.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-1224.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-1016.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-87.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 cP138–Cd6Se7O (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.23\) and filling fraction \(\phi = 0.158\).

../_images/band_diagram_b=51.jpg

Band Structure across first Brillouin Zone.

../_images/cP138-Cd6Se7O_r@gap_5-6.png

View along \(a_1\).

Gap between Bands 8-9

Below is the band structure and isosurface of cP138–Cd6Se7O (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.26\) and filling fraction \(\phi = 0.077\).

../_images/band_diagram_b=83.jpg

Band Structure across first Brillouin Zone.

../_images/cP138-Cd6Se7O_r@gap_8-9.png

View along \(a_1\).