tP12-PNO (Inverse)

tP12–PNO (Inverse)

../_images/structure93.jpg

Image of tP12–PNO (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 1.51378982~\hat{z}\\\end{split}\]

Space Group: 81

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

Structure DOI: https://doi.org/10.1002/chin.199030021

Source: Inorganic Crystallographic Database #68681

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-1692.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-1493.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-1279.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-1064.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-833.png

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

Gap Atlas for \(\varepsilon = 6\)

../_images/gap_atlas-618.png

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

Gap Atlas for \(\varepsilon = 4\)

../_images/gap_atlas-414.png

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

Gap between Bands 4-5

Below is the band structure and isosurface of tP12–PNO (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.35\) and filling fraction \(\phi = 0.2\).

../_images/band_diagram_b=415.jpg

Band Structure across first Brillouin Zone.

../_images/tP12-PNO_r@gap_4-5.png

View along \(a_1\).