tP12-AlCuBr4 (Inverse)

tP12–AlCuBr₄ (Inverse)

Image of tP12–AlCuBr₄ (Inverse), generated by Vesta

Lattice Vectors:

\[\begin{split}a_1 &= ~\hat{x}\\ a_2 &= ~\hat{y}\\ a_3 &= 1.8500374966~\hat{z}\\\end{split}\]

Space Group: 112

Point Group of Structure: \(\bar{42}m\)

Structure DOI: https://doi.org/10.1021/ic971148v

Source: Crystallographic Open Database #4322712

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 Atlas for \(\varepsilon = 8\)

Gap Atlas for \(\varepsilon\) = 8 across filling fraction \(\phi\) and frequency \(\omega\).

Gap between Bands 16-17

Below is the band structure and isosurface of tP12–AlCuBr₄ (Inverse) at dielectric contrast \(\varepsilon = 16\), radius \(r = 0.295\) and filling fraction \(\phi = 0.411\).

Band Structure across first Brillouin Zone.

View along \(a_1\).