tP12-Ga0.71B0.29PO4 (Direct)

tP12–Ga0.71B0.29PO4 (Direct)

../_images/structure106.jpg

Image of tP12–Ga0.71B0.29PO4 (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 1.4974969651~\hat{z}\\\end{split}\]

Space Group: 81

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

Structure DOI: https://doi.org/10.1107/S1600536810000358

Source: Crystallographic Open Database #2224852

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16104.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14104.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-1289.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-1073.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-839.png

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

Gap Atlas for \(\varepsilon = 6\)

../_images/gap_atlas-623.png

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

Gap Atlas for \(\varepsilon = 4\)

../_images/gap_atlas-417.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–Ga0.71B0.29PO4 (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.21\) and filling fraction \(\phi = 0.288\).

../_images/band_diagram_b=420.jpg

Band Structure across first Brillouin Zone.

../_images/tP12-B029Ga071O4P@gap_4-5.png

View along \(a_1\).

../_images/tP12-Ga071B029PO4@gap_4-5.png

View along \(a_2\).