tP4-PdO (Direct)

tP4–PdO (Direct)

../_images/structure77.jpg

Image of tP4–PdO (Direct), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 1.759075899~\hat{z}\\\end{split}\]

Space Group: 131

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

Structure DOI: https://doi.org/10.1107/S0365110X53001800

Source: Crystallographic Open Database #1009031

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-1676.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-1477.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-1265.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-1051.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-827.png

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

Gap between Bands 4-5

Below is the band structure and isosurface of tP4–PdO (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.37\) and filling fraction \(\phi = 0.621\).

../_images/band_diagram_b=412.jpg

Band Structure across first Brillouin Zone.

../_images/tP4-PdO@gap_4-5.png

View along \(a_1\).

Gap between Bands 18-19

Below is the band structure and isosurface of tP4–PdO (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.25\) and filling fraction \(\phi = 0.257\).

../_images/band_diagram_b=1812.jpg

Band Structure across first Brillouin Zone.

../_images/tP4-PdO@gap_18-19.png

View along \(a_1\).