mP212-Zn4In16S33 (Inverse)

mP212–Zn4In16S33 (Inverse)

../_images/structure350.jpg

Image of mP212–Zn4In16S33 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= 1.0571232254~\hat{y}\\ a_3 &= -0.3269934315~\hat{x} + 1.0277012587~\hat{z}\\\end{split}\]

Space Group: 14

Point Group of Structure: \(2/m\)

Structure DOI: https://doi.org/10.1021/jacs.7b12092

Source: Crystallographic Open Database #4127044

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16345.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14346.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12290.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10225.png

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

Gap between Bands 6-7

Below is the band structure and isosurface of mP212–Zn4In16S33 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.195\) and filling fraction \(\phi = 0.165\).

../_images/band_diagram_b=621.jpg

Band Structure across first Brillouin Zone.

../_images/mP212-Zn4In16S33_r@gap_6-7.png

View along \(a_1\).