hR5-Ni3S2 (Direct)

hR5–Ni₃S₂ (Direct)

Image of hR5–Ni₃S₂ (Direct), 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

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 16-17

Below is the band structure and isosurface of hR5–Ni₃S₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.24\) and filling fraction \(\phi = 0.29\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 17-18

Below is the band structure and isosurface of hR5–Ni₃S₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.23\) and filling fraction \(\phi = 0.255\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 19-20

Below is the band structure and isosurface of hR5–Ni₃S₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.22\) and filling fraction \(\phi = 0.223\).

Band Structure across first Brillouin Zone.

View along \(a_3\).