cF56-Cr2Co0.2Cu0.8Se4 (Inverse)

cF56–Cr2Co0.2Cu0.8Se4 (Inverse)

../_images/structure61.jpg

Image of cF56–Cr2Co0.2Cu0.8Se4 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= 1/\sqrt{2}~\hat{y} + 1/\sqrt{2}~\hat{z}\\ a_2 &= 1/\sqrt{2}~\hat{x} + 1/\sqrt{2}~\hat{z}\\ a_3 &= 1/\sqrt{2}~\hat{x} + 1/\sqrt{2}~\hat{y}\\\end{split}\]

Space Group: 227

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

Structure DOI: https://doi.org/10.1021/ic900264x

Source: Crystallographic Open Database #4338589

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-1660.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-1461.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-1250.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-1039.png

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

Gap between Bands 8-9

Below is the band structure and isosurface of cF56–Cr2Co0.2Cu0.8Se4 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.24\) and filling fraction \(\phi = 0.163\).

../_images/band_diagram_b=810.jpg

Band Structure across first Brillouin Zone.

../_images/cF14-Co02Cr2Cu08Se4_r@gap_8-9.png

View along \(a_1\).

../_images/cF56-Cr2Co02Cu08Se4_r@gap_8-9.png

View along \(a_2\).

Gap between Bands 10-11

Below is the band structure and isosurface of cF56–Cr2Co0.2Cu0.8Se4 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.24\) and filling fraction \(\phi = 0.163\).

../_images/band_diagram_b=105.jpg

Band Structure across first Brillouin Zone.

../_images/cF14-Co02Cr2Cu08Se4_r@gap_10-11.png

View along \(a_1\).

../_images/cF56-Cr2Co02Cu08Se4_r@gap_10-11.png

View along \(a_2\).