hR5-Ni3S2 (Inverse)

hR5–Ni₃S₂ (Inverse)

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

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= -0.0052360171~\hat{x} + ~\hat{y}\\ a_3 &= -0.0052360171~\hat{x} - 0.0052635051~\hat{y} + ~\hat{z}\\\end{split}\]

Space Group: 155

Point Group of Structure: \(32\)

Structure DOI: https://doi.org/10.1002/zaac.19382390109

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) 4, 8, 13, 14 not previously studied

Source: Crystallographic Open Database #1011250

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 Atlas for \(\varepsilon = 10\)

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 \(\phi = 0.217\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 4-5

Below is the band structure and isosurface of hR5–Ni₃S₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.41\) and filling fraction \(\phi = 0.095\).

Band Structure across first Brillouin Zone.

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 \(r = 0.4\) and filling fraction \(\phi = 0.116\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 13-14

Below is the band structure and isosurface of hR5–Ni₃S₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.38\) and filling fraction \(\phi = 0.163\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 14-15

Below is the band structure and isosurface of hR5–Ni₃S₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.4\) and filling fraction \(\phi = 0.116\).

Band Structure across first Brillouin Zone.

View along \(a_1\).