hR4-XeO3 (Inverse)

hR4–XeO₃ (Inverse)

Image of hR4–XeO₃ (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= 0.6440301522~\hat{x} + 0.3718309817~\hat{y} + 0.6685558197~\hat{z}\\ a_2 &= -0.6440301522~\hat{x} + 0.3718309817~\hat{y} + 0.6685558197~\hat{z}\\ a_3 &= -0.7436619635~\hat{y} + 0.6685558197~\hat{z}\\\end{split}\]

Space Group: 146

Point Group of Structure: \(3\)

Structure DOI: https://doi.org/10.1021/acs.inorgchem.6b02371

Photonics DOI: Gap(s) for space group 146 above band 2 theorized in: https://doi.org/10.1103/PhysRevLett.121.263903,

Gap(s) above band(s) 17 not previously studied

Source: Inorganic Crystallographic Database #253590

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

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

Gap Atlas for \(\varepsilon = 14\)

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

Gap Atlas for \(\varepsilon = 12\)

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

Gap between Bands 2-3

Below is the band structure and isosurface of hR4–XeO₃ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.42\) and filling fraction \(\phi = 0.116\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 17-18

Below is the band structure and isosurface of hR4–XeO₃ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.36\) and filling fraction \(\phi = 0.328\).

Band Structure across first Brillouin Zone.

View along \(a_1\).