tP12-PNO (Direct)

tP12–PNO (Direct)

../_images/structure300.jpg

Image of tP12–PNO (Direct), 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-16296.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14296.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12249.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10192.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-8127.png

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

Gap Atlas for \(\varepsilon = 6\)

../_images/gap_atlas-668.png

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

Gap Atlas for \(\varepsilon = 4\)

../_images/gap_atlas-446.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 (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.21\) and filling fraction \(\phi = 0.288\).

../_images/band_diagram_b=444.jpg

Band Structure across first Brillouin Zone.

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

View along \(a_1\).