tI2-Pa (Inverse)

tI2–Pa (Inverse)

../_images/structure68.jpg

Image of tI2–Pa (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= -0.6110860477~\hat{x} + 0.6110860477~\hat{y} + 0.5031378386~\hat{z}\\ a_2 &= 0.6110860477~\hat{x} - 0.6110860477~\hat{y} + 0.5031378386~\hat{z}\\ a_3 &= 0.6110860477~\hat{x} + 0.6110860477~\hat{y} - 0.5031378386~\hat{z}\\\end{split}\]

Space Group: 139

Point Group of Structure: \(4/mmm\)

Structure DOI: https://doi.org/10.1016/0304-8853(82)90252-9

Source: Inorganic Crystallographic Database #648333

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-1667.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-1468.png

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

Gap between Bands 5-6

Below is the band structure and isosurface of tI2–Pa (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.54\) and filling fraction \(\phi = 0.157\).

../_images/band_diagram_b=55.jpg

Band Structure across first Brillouin Zone.

../_images/tI2-Pa_r@gap_5-6.png

View along \(a_1\).