cI144-GaSe2 (Inverse)

cI144–GaSe₂ (Inverse)

Image of cI144–GaSe₂ (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= -1/\sqrt{3}~\hat{x} + 1/\sqrt{3}~\hat{y} + 1/\sqrt{3}~\hat{z}\\ a_2 &= 1/\sqrt{3}~\hat{x} - 1/\sqrt{3}~\hat{y} + 1/\sqrt{3}~\hat{z}\\ a_3 &= 1/\sqrt{3}~\hat{x} + 1/\sqrt{3}~\hat{y} - 1/\sqrt{3}~\hat{z}\\\end{split}\]

Space Group: 217

Point Group of Structure: \(\bar{43}m\)

Structure DOI: https://doi.org/10.1126/science.1078663

Source: Inorganic Crystallographic Database #281757

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 6-7

Below is the band structure and isosurface of cI144–GaSe₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.265\) and filling fraction \(\phi = 0.11\).

Band Structure across first Brillouin Zone.

View along \(a_1\).

Gap between Bands 14-15

Below is the band structure and isosurface of cI144–GaSe₂ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.2\) and filling fraction \(\phi = 0.273\).

Band Structure across first Brillouin Zone.

View along \(a_1\).