oI4-HgO (Direct)

oI4–HgO (Direct)

../_images/structure203.jpg

Image of oI4–HgO (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= -0.7524667619~\hat{x} + 0.4508536953~\hat{y} + 0.4801298966~\hat{z}\\ a_2 &= 0.7524667619~\hat{x} - 0.4508536953~\hat{y} + 0.4801298966~\hat{z}\\ a_3 &= 0.7524667619~\hat{x} + 0.4508536953~\hat{y} - 0.4801298966~\hat{z}\\\end{split}\]

Space Group: 74

Point Group of Structure: \(mmm\)

Structure DOI: https://doi.org/10.1107/S0365110X56000772

Source: Inorganic Crystallographic Database #16627

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16200.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14201.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12166.png

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

Gap between Bands 8-9

Below is the band structure and isosurface of oI4–HgO (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.19\) and filling fraction \(\phi = 0.063\).

../_images/band_diagram_b=844.jpg

Band Structure across first Brillouin Zone.

../_images/oI4-HgO@gap_8-9.png

View along \(a_1\).