tI14-Hg2GeSe4 (Inverse)

tI14–Hg2GeSe4 (Inverse)

../_images/structure209.jpg

Image of tI14–Hg2GeSe4 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= -0.4106378431~\hat{x} + 0.4106378431~\hat{y} + 0.8140965076~\hat{z}\\ a_2 &= 0.4106378431~\hat{x} - 0.4106378431~\hat{y} + 0.8140965076~\hat{z}\\ a_3 &= 0.4106378431~\hat{x} + 0.4106378431~\hat{y} - 0.8140965076~\hat{z}\\\end{split}\]

Space Group: 82

Point Group of Structure: \(\bar{4}\)

Structure DOI: https://doi.org/10.1107/S1600536804034105

Source: Crystallographic Open Database #2205173

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16206.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14207.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12172.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10136.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-883.png

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

Gap Atlas for \(\varepsilon = 6\)

../_images/gap_atlas-643.png

Gap Atlas for \(\varepsilon\) = 6 across filling fraction \(\phi\) and frequency \(\omega\).

Gap Atlas for \(\varepsilon = 4\)

../_images/gap_atlas-429.png

Gap Atlas for \(\varepsilon\) = 4 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 8-9

Below is the band structure and isosurface of tI14–Hg2GeSe4 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.285\) and filling fraction \(\phi = 0.146\).

../_images/band_diagram_b=846.jpg

Band Structure across first Brillouin Zone.

../_images/tI14-Hg2GeSe4_r@gap_8-9.png

View along \(a_1\).

Gap between Bands 11-12

Below is the band structure and isosurface of tI14–Hg2GeSe4 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.25\) and filling fraction \(\phi = 0.3\).

../_images/band_diagram_b=115.jpg

Band Structure across first Brillouin Zone.

../_images/tI14-Hg2GeSe4_r@gap_11-12.png

View along \(a_1\).