hP6-HgS (Inverse)

hP6–HgS (Inverse)

../_images/structure148.jpg

Image of hP6–HgS (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -1/2~\hat{x} + \sqrt{3}/\sqrt{4}~\hat{y}\\ a_3 &= 2.2760688281202195~\hat{z}\\\end{split}\]

Space Group: 154

Point Group of Structure: \(32\)

Structure DOI: https://doi.org/10.1088/0256-307X/26/4/046402

Source: Inorganic Crystallographic Database #169617

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16145.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14146.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12119.png

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

Gap between Bands 6-7

Below is the band structure and isosurface of hP6–HgS (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.435\) and filling fraction \(\phi = 0.16\).

../_images/band_diagram_b=611.jpg

Band Structure across first Brillouin Zone.

../_images/hP6-HgS_r@gap_6-7.png

View along \(a_1\).