hR5-Ni3S2 (Inverse)

hR5–Ni3S2 (Inverse)

../_images/structure334.jpg

Image of hR5–Ni3S2 (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= 0.0094420973~\hat{x} + 0.9999554224~\hat{y}\\ a_3 &= 0.0094420973~\hat{x} + 0.0093533611~\hat{y} + 0.9999116768~\hat{z}\\\end{split}\]

Space Group: 155

Point Group of Structure: \(32\)

Structure DOI: https://doi.org/10.1107/S0567740880005523

Photonics DOI: Gap(s) for space group 155 above band 2 theorized in: https://doi.org/10.1103/PhysRevLett.121.263903,

Gap(s) above band(s) 8 not previously studied

Source: Crystallographic Open Database #9007640

MPB Epsilon Input File: Download

Gap Atlas for \(\varepsilon = 16\)

../_images/gap_atlas-16330.png

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

Gap Atlas for \(\varepsilon = 14\)

../_images/gap_atlas-14330.png

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

Gap Atlas for \(\varepsilon = 12\)

../_images/gap_atlas-12278.png

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

Gap Atlas for \(\varepsilon = 10\)

../_images/gap_atlas-10214.png

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

Gap between Bands 2-3

Below is the band structure and isosurface of hR5–Ni3S2 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.36\) and filling fraction \(\phi = 0.216\).

../_images/band_diagram_b=247.jpg

Band Structure across first Brillouin Zone.

../_images/hR5-Ni3S2_r@gap_2-31.png

View along \(a_1\).

Gap between Bands 8-9

Below is the band structure and isosurface of hR5–Ni3S2 (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.405\) and filling fraction \(\phi = 0.106\).

../_images/band_diagram_b=870.jpg

Band Structure across first Brillouin Zone.

../_images/hR5-Ni3S2_r@gap_8-91.png

View along \(a_1\).