cF64-FeNiS2 (Direct)

cF64–FeNiS₂ (Direct)

Image of cF64–FeNiS₂ (Direct), 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: 225

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

Structure DOI: https://doi.org/10.1080/11035892509443177

Source: Crystallographic Open Database #1011181

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 between Bands 11-12

Below is the band structure and isosurface of cF64–FeNiS₂ (Direct) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.16\) and filling fraction \(\phi = 0.386\).

Band Structure across first Brillouin Zone.

View along \(a_1\).