cF88-Pr2Zr2O7 (Inverse)

cF88–Pr2Zr2O7 (Inverse)

../_images/structure200.jpg

Image of cF88–Pr2Zr2O7 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= 1/\sqrt{2}~\hat{y} + 1/\sqrt{2}~\hat{z}\\ a_2 &= 1/\sqrt{2}~\hat{x} + 1/\sqrt{2}~\hat{z}\\ a_3 &= 1/\sqrt{2}~\hat{x} + 1/\sqrt{2}~\hat{y}\\\end{split}\]

Space Group: 227

Point Group of Structure: \(m\bar{3}m\)

Structure DOI: https://doi.org/10.1021/ic902020r

Source: Crystallographic Open Database #4303938

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16197.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14198.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12163.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10129.png

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

Gap Atlas for \(\varepsilon = 8\)

../_images/gap_atlas-877.png

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

Gap between Bands 14-15

Below is the band structure and isosurface of cF88–Pr2Zr2O7 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.23\) and filling fraction \(\phi = 0.097\).

../_images/band_diagram_b=1411.jpg

Band Structure across first Brillouin Zone.

../_images/cF88-Pr2Zr2O7_r@gap_14-15.png

View along \(a_1\).